SCHEMBL4127966

SCHEMBL4127966

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.62
BMP1 P13497 3/20 0.56
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
PIN1 Q13526 2/20 0.44
CTSK P43235 5/20 0.43
CTSL P07711 1/20 0.43
ADAMTS4 O75173 1/20 0.41
MMP1 P03956 1/20 0.41
ADAM17 P78536 1/20 0.41
ADAMTS1 Q9UHI8 1/20 0.41
ADAMTS7 Q9UKP4 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
TACR2 P21452 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
SCHEMBL5437691 0.95 TRPV4 (0.60) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL4149235 0.93 TRPV4 (0.61) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL14605851 0.93 TRPV4 (0.55) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL13872387 0.93 TRPV4 (0.61) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL4133515 0.91 TRPV4 (0.61) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL4139996 0.91 TRPV4 (0.61) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL14361121 0.89 TRPV4 (0.61) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL5447917 0.89 TRPV4 (0.61) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL5434875 0.89 TRPV4 (0.66) TRPV4BMP1TAS1R3TAS1R1CTSB
SCHEMBL4147519 0.89 TRPV4 (0.66) 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 3 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 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.