SCHEMBL16706090

SCHEMBL16706090

O=C(O)C1Nc2c(C(F)(F)F)ccc(Cl)c2C2C=CCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 1.00
▸ KMT2A Q03164 6/20 1.00
▸ POLB P06746 6/20 1.00
▸ PTPN7 P35236 10/20 0.65
▸ HSPA1A P0DMV8 7/20 0.65
▸ HSPA8 P11142 5/20 0.65
▸ DNMT1 P26358 1/20 0.60
▸ CASP7 P55210 1/20 0.60
▸ CASP6 P55212 1/20 0.60
▸ NR4A1 P22736 4/20 0.57
▸ TDP1 Q9NUW8 5/20 0.55
▸ GAPDH P04406 5/20 0.53
▸ BLM P54132 4/20 0.53
▸ L3MBTL1 Q9Y468 4/20 0.53
▸ PLA2G1B P04054 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53
▸ MAPT P10636 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ RECQL P46063 3/20 0.51
▸ USP2 O75604 2/20 0.51

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
SCHEMBL23949485 0.79 PTPN7 (1.00) MEN1KMT2APOLBPTPN7HSPA1A
SCHEMBL16706088 0.75 PTPN7 (1.00) MEN1KMT2APOLBPTPN7HSPA1A
SCHEMBL13056428 0.72 NR4A1 (1.00) MEN1KMT2APOLBPTPN7HSPA1A
SCHEMBL16706089 0.71 TDP1 (1.00) MEN1KMT2APOLBPTPN7HSPA1A
SCHEMBL13725379 0.70 HSPA1A (0.62) MEN1KMT2APOLBPTPN7HSPA1A
SCHEMBL13056448 0.69 PTPN7 (1.00) MEN1KMT2APOLBPTPN7HSPA1A
SCHEMBL6087749 0.69 HSPA1A (1.00) MEN1KMT2APOLBPTPN7HSPA1A
SCHEMBL16706085 0.68 PTPN7 (1.00) MEN1KMT2APOLBPTPN7HSPA1A
SCHEMBL14680373 0.67 PTPN7 (1.00) MEN1KMT2APOLBPTPN7HSPA1A
SCHEMBL13725224 0.67 PTPN7 (0.63) MEN1KMT2APOLBPTPN7HSPA1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11129835-B2 Methods and compositions for the inhibition of PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-09-28 — — US disclosed
US-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-04-20 — — US disclosed
US-20200093832-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2020-03-26 — — US disclosed
US-10413548-B2 Methods and compositions for the inhibition of Pin1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2019-09-17 — — US disclosed
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-07 — — US disclosed
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-07 — — US disclosed
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 — — US disclosed
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 — — US disclosed
US-9730941-B2 Methods and compositions for the inhibition of Pin1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-08-15 — — US disclosed
US-9730941-B2 Methods and compositions for the inhibition of Pin1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-08-15 — — US disclosed
US-20150133442-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-14 — — US disclosed
US-20150133442-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-14 — — US 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 (7 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-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders PIN1, AS3MT, PML MEN1 3503/4885KMT2A 1979/4885POLB 2449/4885
US-20200093832-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 MEN1 4156/4885KMT2A 3006/4885POLB 1852/4885
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS PIN1, AS3MT, PML MEN1 3503/4885KMT2A 1979/4885POLB 2449/4885
US-20150133442-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 MEN1 4156/4885KMT2A 3006/4885POLB 1852/4885
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 MEN1 4156/4885KMT2A 3006/4885POLB 1852/4885
US-11129835-B2 Methods and compositions for the inhibition of PIN1 PIN1, FKBP1A, FKBP2 MEN1 4156/4885KMT2A 3006/4885POLB 1852/4885
US-10413548-B2 Methods and compositions for the inhibition of Pin1 PIN1, FKBP1A, FKBP2 MEN1 4156/4885KMT2A 3006/4885POLB 1852/4885

“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.

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