SCHEMBL4135088

SCHEMBL4135088

CC(C)C[C@H](NC(=O)c1cc2sccc2[nH]1)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.43
CTSL P07711 7/20 0.43
TRPV4 Q9HBA0 1/20 0.43
BMP1 P13497 1/20 0.41
CTSS P25774 5/20 0.40
ADAM17 P78536 1/20 0.38
CTSK P43235 4/20 0.37
CCR1 P32246 1/20 0.36
PYGL P06737 1/20 0.36
CACNA1B Q00975 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL14605581 1.00 CAPN1 (0.43) CAPN1CTSLTRPV4BMP1CTSS
SCHEMBL13872519 0.98 CTSL (0.43) CAPN1CTSLTRPV4BMP1CTSS
SCHEMBL4136113 0.92 TRPV4 (0.49) CAPN1CTSLTRPV4CTSSCTSK
SCHEMBL13872503 0.92 TRPV4 (0.49) CAPN1CTSLTRPV4CTSSCTSK
SCHEMBL13872500 0.90 CAPN1 (0.43) CAPN1CTSLTRPV4CTSSCTSK
SCHEMBL4141712 0.90 CAPN1 (0.43) CAPN1CTSLTRPV4CTSSCTSK
SCHEMBL4142303 0.81 CAPN1 (0.48) CAPN1CTSLTRPV4BMP1CTSS
SCHEMBL4147519 0.80 TRPV4 (0.66) CAPN1CTSLTRPV4BMP1CTSS
SCHEMBL4136156 0.79 TRPV4 (0.48) CAPN1CTSLTRPV4BMP1CTSS
SCHEMBL4142150 0.79 TRPV4 (0.51) CAPN1CTSLTRPV4BMP1CTSS

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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US claimed
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 CAPN1 2031/4885CTSL 3815/4885TRPV4 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.