SCHEMBL4148564

SCHEMBL4148564

COC[CH]CN(CCCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)NC(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.40
BMP1 P13497 1/20 0.38
TRPV4 Q9HBA0 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSTO1 P78417 2/20 0.35
ADAM17 P78536 1/20 0.34
PIK3CA P42336 4/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.33
FABP4 P15090 1/20 0.32
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
LPAR2 Q9HBW0 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
SCHEMBL4134996 0.91 GAA (0.40) CCR1TRPV4SMN1; SMN2GSTO1GAA
SCHEMBL4131367 0.88 CNR2 (0.41) USP2SMN1; SMN2POLB
SCHEMBL4148569 0.88 GSTO1 (0.43) CCR1BMP1TRPV4USP2SMN1; SMN2
SCHEMBL4145501 0.79 PTGES (0.39) CCR1TRPV4GAAALDH1A1FABP4
SCHEMBL4134999 0.78 GSTO1 (0.44) CCR1TRPV4GSTO1GAAALDH1A1
SCHEMBL4145495 0.78 F13A1 (0.44) ALDH1A1
SCHEMBL4148627 0.78 BMP1 (0.37) CCR1BMP1TRPV4USP2SMN1; SMN2
SCHEMBL4148621 0.78 BMP1 (0.37) CCR1BMP1TRPV4USP2SMN1; SMN2
SCHEMBL4140483 0.76 CCR1 (0.41) CCR1SMN1; SMN2GAAALDH1A1
SCHEMBL4131370 0.76 CNR2 (0.49) USP2SMN1; SMN2GSTO1ALDH1A1POLB

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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 CCR1 766/4885BMP1 2172/4885TRPV4 1/4885

“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.