SCHEMBL13036072

SCHEMBL13036072

Cc1cccc(-c2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PI4KA P42356 1/20 0.47
PIK3CG P48736 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
SDHB P21912 1/20 0.46
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
TRPV4 Q9HBA0 1/20 0.43
PTPN5 P54829 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
SCHEMBL21377212 0.87 AR (0.42) ARSDHBPTGS1PTGS2PTPN5
SCHEMBL23602037 0.85 MAP4K4 (0.42) AR
SCHEMBL16068085 0.81 GRIN1 (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL16068089 0.80 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18356741 0.80 HSD17B1 (0.60) ARPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL16906666 0.79 AR (0.46) ARSDHBPTPN5
SCHEMBL16906665 0.79 PTGS2 (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL16906667 0.79 SDHB (0.51) ARSDHBPTGS1PTGS2
SCHEMBL28032643 0.79 MEN1 (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL16404616 0.78 TRPV4 (0.52) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 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 (2 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-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 AR 3186/4885PIK3CD 1945/4885PIK3CA 1832/4885
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 AR 3186/4885PIK3CD 1945/4885PIK3CA 1832/4885

“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.