SCHEMBL2787679

SCHEMBL2787679

COc1cc(CBr)ccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.50
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PGR P06401 1/20 0.45
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAOB P27338 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
SCHEMBL379202 0.89 ALDH1A1 (0.56) ARKDM4EUSP2ALDH1A1IMPDH2
SCHEMBL29413275 0.89 ALDH1A1 (0.56) ARKDM4EUSP2ALDH1A1IMPDH2
SCHEMBL12188729 0.84 AR (0.55) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL25779755 0.82 MAOB (0.37) ARKDM4EUSP2ALDH1A1FNTA
SCHEMBL25077588 0.82 AR (0.50) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL2786569 0.82 AR (0.58) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL6483428 0.82 KDM4E (0.51) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL11857134 0.82 AR (0.50) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL7669160 0.82 AR (0.50) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL25735784 0.82 AR (0.50) ARKDM4EUSP2ALDH1A1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025080049-A1 COMPOUND FOR INHIBITING ATX, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING ATX ACTIVITY-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2025-04-17 WO disclosed
US-20250034182-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2025-01-30 US disclosed
US-12116380-B2 Phospholipid compounds and methods of making and using the same GILEAD SCIENCES, INC. (US) 2024-10-15 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
EP-4387977-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2024-06-26 EP disclosed
CN-117858881-A Phospholipid compounds and methods of making and using the same 吉利德科学公司 2024-04-09 CN disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-11773122-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES. INC. (US) 2023-10-03 US disclosed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 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 (5 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-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 AR 4609/4885KDM4E 3875/4885USP2 4298/4885
US-12116380-B2 Phospholipid compounds and methods of making and using the same PHOSPHO1, SGMS1, SGMS2 AR 4605/4885KDM4E 4026/4885USP2 3835/4885
US-20250034182-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PHOSPHO1, SGMS1, SGMS2 AR 4605/4885KDM4E 4026/4885USP2 3835/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 AR 4609/4885KDM4E 3875/4885USP2 4298/4885
US-11773122-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 AR 4609/4885KDM4E 3875/4885USP2 4298/4885

“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.