SCHEMBL4152789

SCHEMBL4152789

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NC[C@@H](O)CCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.51
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
CTSS P25774 9/20 0.47
CTSB P07858 3/20 0.47
BMP1 P13497 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41
CTSL P07711 9/20 0.41
MMP2 P08253 1/20 0.40
UTS2R Q9UKP6 2/20 0.40
CTSV O60911 2/20 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
SCHEMBL4152794 1.00 CTSK (0.51) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4127268 0.89 CTSK (0.53) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4131505 0.86 TRPV4 (0.57) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4131501 0.86 TRPV4 (0.57) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4139857 0.82 TRPV4 (0.55) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4144861 0.80 TRPV4 (0.59) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4135102 0.80 TRPV4 (0.59) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4093133 0.79 TRPV4 (0.57) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4133550 0.78 CTSK (0.47) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL14605855 0.77 BMP1 (0.41) CTSKCTSSBMP1TRPV4CTSL

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 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

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 CTSK 3473/4885TAS1R3 513/4885TAS1R1 487/4885

“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.