SCHEMBL4136447

SCHEMBL4136447

CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)s1)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.50
BMP1 P13497 1/20 0.47
CTSS P25774 3/20 0.47
CTSB P07858 1/20 0.47
CAPN1 P07384 3/20 0.46
CTSL P07711 4/20 0.45
HPGDS O60760 1/20 0.45
ACKR3 P25106 7/20 0.42
CTSK P43235 2/20 0.42
TP53 P04637 1/20 0.40

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
SCHEMBL4136156 0.88 TRPV4 (0.48) TRPV4BMP1CTSSCTSBCAPN1
SCHEMBL4147519 0.87 TRPV4 (0.66) TRPV4BMP1CTSSCTSBCAPN1
SCHEMBL5434875 0.85 TRPV4 (0.66) TRPV4BMP1CTSSCTSBCAPN1
SCHEMBL4142150 0.84 TRPV4 (0.51) TRPV4BMP1CTSSCAPN1CTSL
SCHEMBL4127268 0.81 CTSK (0.53) TRPV4BMP1CTSSCTSBCAPN1
SCHEMBL4142303 0.81 CAPN1 (0.48) TRPV4BMP1CTSSCAPN1CTSL
SCHEMBL4139727 0.81 BMP1 (0.47) TRPV4BMP1CTSSCAPN1CTSL
SCHEMBL4139891 0.80 BMP1 (0.39) TRPV4BMP1CAPN1HPGDSACKR3
SCHEMBL4135948 0.80 BMP1 (0.49) TRPV4BMP1CAPN1CTSLCTSK
SCHEMBL5446412 0.80 TRPV4 (0.49) TRPV4BMP1CTSSCAPN1CTSL

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-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
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 TRPV4 1/4885BMP1 2172/4885CTSS 3772/4885

“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.