SCHEMBL436504

SCHEMBL436504

C[C@H]1CC[C@H](C(F)(F)F)CC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL254857 1.00 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL436177 1.00 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL21638056 0.92
SCHEMBL9613616 0.92
SCHEMBL23432355 0.89
SCHEMBL999487 0.85 EPHX1 (0.32)
SCHEMBL13480367 0.85 LIPA (0.32)
SCHEMBL18060 0.83
SCHEMBL1035408 0.83 NOS3 (0.36) NOS3NOS1NOS2
SCHEMBL8791023 0.82 L3MBTL1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373950-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. 2023-11-23 US disclosed
US-20230295111-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. 2023-09-21 US disclosed
US-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 US disclosed
WO-2023178181-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-09-21 WO disclosed
EP-4245756-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF Gilead Sciences, Inc. (US) 2023-09-20 EP disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20230219974-A1 ANTHELMINTIC AZA-BENZOTHIOPHENE AND AZA-BENZOFURAN COMPOUNDS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2023-07-13 US disclosed
WO-2023122581-A2 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-29 WO disclosed
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-22 US disclosed
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO disclosed
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
EP-2060563-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-20 EP disclosed
WO-2008130581-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 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 (9 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-20230295201-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 NOS3 2118/4885NOS1 3230/4885NOS2 3038/4885
US-20230373950-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF IKZF2, IKZF1, IKZF3 NOS3 4217/4885NOS1 4436/4885NOS2 4156/4885
US-20230219974-A1 ANTHELMINTIC AZA-BENZOTHIOPHENE AND AZA-BENZOFURAN COMPOUNDS TPMT, NAT1, HNMT NOS3 1018/4885NOS1 1149/4885NOS2 1310/4885
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 NOS3 2329/4885NOS1 1784/4885NOS2 1769/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 NOS3 4013/4885NOS1 4171/4885NOS2 4166/4885
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, PDGFRB NOS3 643/4885NOS1 772/4885NOS2 719/4885
US-20230295111-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF IKZF2, IKZF1, IKZF3 NOS3 4217/4885NOS1 4436/4885NOS2 4156/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH NOS3 873/4885NOS1 875/4885NOS2 953/4885
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE HRH2, HRH1, HRH4 NOS3 310/4885NOS1 256/4885NOS2 352/4885

“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.