SCHEMBL6903369

SCHEMBL6903369

CCc1cc(C(C)(C)C)sc1CC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
RAF1 P04049 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.33
MAPK14 Q16539 2/20 0.33
PDPK1 O15530 1/20 0.33
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL13126286 0.81 GABRA1 (0.30)
SCHEMBL20290904 0.78 ALDH1A1 (0.38) ERCC5FEN1RAF1L3MBTL1USP2
SCHEMBL13400737 0.78 L3MBTL1 (0.34) ERCC5FEN1RAF1L3MBTL1MAPK14
SCHEMBL15220321 0.75 RXFP1 (0.40) ERCC5FEN1RAF1L3MBTL1USP2
SCHEMBL9769293 0.70 TSHR (0.34) USP2
SCHEMBL6901097 0.70 ALDH1A1 (0.37) USP2MAPT
SCHEMBL9769291 0.68 USP2 (0.32) USP2
SCHEMBL20645742 0.68 USP2 (0.39) USP2
SCHEMBL19274401 0.65 ALOX15 (0.32) L3MBTL1USP2MAPTPKMPRKDC
SCHEMBL21959175 0.64 TYR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178101-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-07-21 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-20110178101-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 ERCC5 4368/4885FEN1 3320/4885RAF1 3045/4885

“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.