SCHEMBL16639425

SCHEMBL16639425

CCCc1cc(C(=O)OC)sc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CSNK2A2 P19784 1/20 0.37
KDR P35968 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL19002552 0.82 ALDH1A1 (0.43) HPGDMAPK1NPSR1L3MBTL1TSHR
SCHEMBL1529648 0.79 USP2 (0.51) HPGDMAPK1NPSR1L3MBTL1TSHR
SCHEMBL1529974 0.75 GSK3B (0.53) HPGDMAPK1NPSR1L3MBTL1TSHR
SCHEMBL17201680 0.74 PTPN2 (0.43) HPGDMAPK1NPSR1L3MBTL1TSHR
SCHEMBL261464 0.74 CSNK2A2 (0.45) HPGDMAPK1NPSR1L3MBTL1TSHR
SCHEMBL15550223 0.74 PPM1D (0.40) HPGDMAPK1L3MBTL1TSHRPOLB
SCHEMBL18420119 0.73 HPGD (0.46) HPGDMAPK1NPSR1L3MBTL1TSHR
SCHEMBL19049035 0.73 ALDH1A1 (0.54) HPGDMAPK1NPSR1L3MBTL1TSHR
SCHEMBL20892550 0.73 MRGPRX4 (0.43) HPGDMAPK1NPSR1L3MBTL1TSHR
SCHEMBL29271619 0.73 KDM4E (0.41) HPGDMAPK1NPSR1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216970-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-22 US disclosed
US-9216970-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-22 US disclosed
US-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-16 US disclosed
US-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-16 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 (1 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-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 HPGD 871/4885MAPK1 2243/4885NPSR1 36/4885

“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.