SCHEMBL3782872

SCHEMBL3782872

CC(=O)SC1CCCC1(Cc1ccc(N)nc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 0.40
GABRQ Q9UN88 2/20 0.40
CPB1 P15086 5/20 0.39
CPB2 Q96IY4 9/20 0.36
MASP2 O00187 2/20 0.33
ALOX5AP P20292 2/20 0.33

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
SCHEMBL27819605 0.77 CPB1 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
Trifluoroacetic Acid SCHEMBL3778605 0.75 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3788776 0.71 CPB2 (0.31) CPB2
Hydrochloric Acid SCHEMBL3776651 0.70 CPB2 (0.30) CPB2
Hydrochloric Acid SCHEMBL3787992 0.70 CPB2 (0.30) CPB2
SCHEMBL3778608 0.66 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20679108 0.64 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1042482 0.62 NAMPT (0.44)
SCHEMBL13727865 0.61 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2500839 0.60 RAB9A (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309341-B2 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them Les Laboratories Server (FR) 2012-11-13 US disclosed
US-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-12-30 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-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them CYP2B6, CYP2A6, MC5R GABRP 1959/4885GABRD 690/4885GABRA1 288/4885

“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.