SCHEMBL6553318

SCHEMBL6553318

O=C(O)C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
RXRA P19793 4/20 0.42
RXRG P48443 3/20 0.42
RXRB P28702 3/20 0.42
TAS2R14 Q9NYV8 1/20 0.40
GPR35 Q9HC97 2/20 0.39
LMNA P02545 1/20 0.39
P2RX1 P51575 1/20 0.39
MAPT P10636 1/20 0.38
FFAR1 O14842 1/20 0.38
PTPN1 P18031 1/20 0.38
RPS6KA3 P51812 1/20 0.37
JAK3 P52333 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
TACR1 P25103 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26328057 0.88 TAS2R14 (0.40) CES2RXRARXRGRXRBTAS2R14
SCHEMBL5812965 0.82 CES2 (0.45) CES2RXRARXRGRXRBTAS2R14
SCHEMBL1590604 0.82 PTPN1 (0.57) CES2LMNAMAPTFFAR1PTPN1
Hydrochloric Acid SCHEMBL6653912 0.81 CES2 (0.44) CES2RXRARXRGRXRBTAS2R14
SCHEMBL670709 0.80 CES2 (0.47) CES2FFAR1PTPN1
SCHEMBL6553779 0.78 NOTUM (0.41) CES2TAS2R14GPR35LMNAP2RX1
SCHEMBL19433690 0.75 FFAR1 (0.38) FFAR1AKR1C2
SCHEMBL22225454 0.71 APP (0.52) TAS2R14P2RX1MAPTFFAR1PTPN1
SCHEMBL11902543 0.71 CES2 (0.43) CES2FFAR1
SCHEMBL5540303 0.70 CES2 (0.38) CES2RXRARXRGRXRBTAS2R14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3433239-B1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2026-05-27 EP disclosed
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-09-26 US disclosed
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-09-26 US disclosed
US-20210186963-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-06-24 US disclosed
US-20210186963-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-06-24 US disclosed
US-10980806-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-04-20 US disclosed
US-10980806-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-04-20 US disclosed
EP-3793982-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER University of Pittsburgh - of the Commonwealth System of Higher Education (US) 2021-03-24 EP disclosed
EP-3433239-A1 SMALL MOLECULE INHIBITOR OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER University of Pittsburgh- Of the Commonwealth System of Higher Education (US) 2019-01-30 EP disclosed
US-20190022093-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-01-24 US disclosed
US-20190022093-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-01-24 US disclosed
WO-2017165822-A1 SMALL MOLECULE INHIBITOR OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-09-28 WO disclosed
WO-2017165822-A1 SMALL MOLECULE INHIBITOR OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-09-28 WO disclosed
EP-1149067-B1 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
EP-1149067-A1 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6310247-B1 HAS APOPTOTIC ACTIVITY USEFUL FOR PROPHYLAXIS AND THERAPY OF CANCER HOFFMANN-LA ROCHE INC. 2001-10-30 US disclosed
WO-2000035856-A1 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210186963-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, NR0B1, NCOA3 CES2 2509/4885RXRA 135/4885RXRG 137/4885
US-20190022093-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, NR0B1, NCOA3 CES2 2875/4885RXRA 127/4885RXRG 125/4885
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 CES2 2818/4885RXRA 129/4885RXRG 127/4885
US-10980806-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 CES2 2818/4885RXRA 129/4885RXRG 127/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.