SCHEMBL2948639

SCHEMBL2948639

O=C(O)CCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.58
DAO P14920 1/20 0.49
FFAR1 O14842 9/20 0.49
FFAR4 Q5NUL3 2/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KEAP1 Q14145 1/20 0.44
SYK P43405 2/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL29854659 1.00 P4HTM (0.58) P4HTMDAOFFAR1FFAR4CA1
SCHEMBL3938190 0.90 PLAAT3 (0.50) P4HTMDAOFFAR1PLAAT3PLAAT5
SCHEMBL30426996 0.90 PLAAT3 (0.50) P4HTMDAOFFAR1PLAAT3PLAAT5
SCHEMBL27654168 0.85 DAO (0.48) P4HTMDAOPLAAT3PLAAT5PLAAT2
SCHEMBL15087614 0.85 DAO (0.48) P4HTMDAOPLAAT3PLAAT5PLAAT2
SCHEMBL15215450 0.83 P4HTM (0.58) P4HTMFFAR1FFAR4CA1CA2
SCHEMBL30025563 0.83 GABRP (0.56) P4HTMDAOCA2PLAAT3PLAAT5
SCHEMBL263863 0.83 GABRP (0.56) P4HTMDAOCA2PLAAT3PLAAT5
SCHEMBL12457131 0.81 DAO (0.45) P4HTMDAOPLAAT3PLAAT5PLAAT2
SCHEMBL2949235 0.81 DAO (0.45) DAOPLAAT3PLAAT5PLAAT2PLAAT4

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239953-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2024-06-25 CN 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
CN-116789670-A Selective CSF1R inhibitor and application thereof 中国科学院合肥物质科学研究院 2023-09-22 CN disclosed
WO-2023173480-A1 SELECTIVE CSF1R INHIBITOR AND USE THEREOF 中国科学院合肥物质科学研究院 2023-09-21 WO disclosed
WO-2023287964-A1 LIGAND-CONTROLLED DIVERGENT DEHYDROGENATIVE REACTIONS OF ALIPHATIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-01-19 WO 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
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 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-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US disclosed
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US disclosed
CN-1926109-A Substituted 1,2,3, 4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-03-07 CN disclosed
EP-1751111-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-02-14 EP disclosed
CN-1835950-A Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2006-09-20 CN disclosed
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
EP-1657242-A1 IMIDAZOPYRIDINE DERIVATIVES Banyu Pharmaceutical Co., Ltd. (JP) 2006-05-17 EP disclosed
WO-2005118548-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-12-15 WO disclosed
WO-2005118548-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-12-15 WO disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 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 (6 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 P4HTM 1817/4885DAO 512/4885FFAR1 323/4885
US-20190022093-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, NR0B1, NCOA3 P4HTM 1846/4885DAO 515/4885FFAR1 300/4885
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives CPT1A, NQO1, COQ8A P4HTM 2419/4885DAO 4492/4885FFAR1 2495/4885
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 P4HTM 1839/4885DAO 528/4885FFAR1 306/4885
US-10980806-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 P4HTM 1839/4885DAO 528/4885FFAR1 306/4885
US-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R P4HTM 1487/4885DAO 874/4885FFAR1 209/4885

“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.