SCHEMBL4133515

SCHEMBL4133515

CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NCCC[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.61
BMP1 P13497 1/20 0.49
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
PIN1 Q13526 3/20 0.44
CTSK P43235 5/20 0.43
CTSL P07711 1/20 0.41
TACR2 P21452 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
ADAM17 P78536 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4139996 1.00 TRPV4 (0.61) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL5430612 0.96 TRPV4 (0.59) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL5441760 0.96 TRPV4 (0.59) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL4127966 0.91 TRPV4 (0.62) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL4149235 0.90 TRPV4 (0.61) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL5434508 0.90 TRPV4 (0.59) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL14361010 0.90 TRPV4 (0.59) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL13872387 0.89 TRPV4 (0.61) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL5447917 0.89 TRPV4 (0.61) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL14361121 0.89 TRPV4 (0.61) TRPV4BMP1TAS1R3TAS1R1CTSB

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 4 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

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 2172/4885TAS1R3 513/4885

“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.