SCHEMBL5215329

SCHEMBL5215329

CCOc1cc(C(=O)Cl)ccc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CREBBP Q92793 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
EPHX2 P34913 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
LMNA P02545 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
TP53 P04637 2/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL5213309 0.86 TSHR (0.62) TSHRMAPK1SMN1; SMN2NPC1USP2
SCHEMBL13763258 0.83 HSD17B2 (0.54) TSHRMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL16950627 0.82 TSHR (0.41) TSHRMAPK1SMN1; SMN2NPC1USP2
SCHEMBL107399 0.82 NR1H4 (0.53) TSHRSMN1; SMN2RAB9ANR1H4EPHX2
SCHEMBL184107 0.82 TSHR (0.60) TSHRMAPK1SMN1; SMN2NPC1USP2
SCHEMBL16951030 0.78 TSHR (0.39) TSHRMAPK1SMN1; SMN2NPC1USP2
SCHEMBL23304630 0.78 TSHR (0.47) TSHRMAPK1SMN1; SMN2NPC1USP2
SCHEMBL6423567 0.78 TSHR (0.73) TSHRMAPK1SMN1; SMN2LMNATP53
SCHEMBL3596786 0.78 MAPK1 (0.67) TSHRMAPK1TP53HPGDL3MBTL1
SCHEMBL17339621 0.77 RXRA (0.54) TSHRMAPK1SMN1; SMN2NPC1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259163-B2 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as HCV inhibitors GLAXO GROUP LIMITED (GB) 2007-08-21 US disclosed
EP-1440069-B1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LTD (GB) 2007-08-15 EP disclosed
US-20050043390-A1 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors GLAXO GROUP LIMITED (GB) 2005-02-24 US disclosed
EP-1440069-A1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-28 EP disclosed
WO-2003037895-A1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-08 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 (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-20050043390-A1 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors NR1H3, NR1H2, NR1I3 TSHR 2158/4885MAPK1 1792/4885SMN1; SMN2 4662/4885

“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.