SCHEMBL4346533

SCHEMBL4346533

CCN(C(=O)C1CCC(C)CC1)c1ccsc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
CYP2E1 P05181 1/20 0.39
ABCC1 P33527 1/20 0.38
NR1I2 O75469 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CPB1 P15086 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AXL P30530 1/20 0.33
LMNA P02545 1/20 0.33
USP30 Q70CQ3 1/20 0.32
GBA1 P04062 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4346529 1.00 HTT (0.39) HTTCYP2E1ABCC1NR1I2NPC1
SCHEMBL2433269 0.86 ALDH1A1 (0.44) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL2433264 0.86 ALDH1A1 (0.44) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL14522229 0.85 ALDH1A1 (0.36) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL2619529 0.81 CYP2E1 (0.36) HTTCYP2E1NR1I2
SCHEMBL12949686 0.79 NR1I2 (0.39) CYP2E1ABCC1NR1I2ALDH1A1AXL
SCHEMBL17244346 0.79 LMNA (0.35) HTTCYP2E1NR1I2NPC1RAB9A
SCHEMBL2619531 0.79 CYP2E1 (0.35) HTTCYP2E1NR1I2ALDH1A1MEN1
SCHEMBL4351509 0.79 CYP2E1 (0.45) HTTCYP2E1NR1I2KDM4EALDH1A1
SCHEMBL4351506 0.79 CYP2E1 (0.45) HTTCYP2E1NR1I2KDM4EALDH1A1

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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 HTT 3128/4885CYP2E1 118/4885ABCC1 657/4885

“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.