SCHEMBL4136152

SCHEMBL4136152

CC(C)C[C@@H](C(N)=O)N(CCCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)c1cc(-c2ccccc2)cs1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.39
TRPV4 Q9HBA0 3/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CCR1 P32246 1/20 0.34
ADAM17 P78536 1/20 0.34
MAPT P10636 2/20 0.34
FABP4 P15090 2/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CAPN1 P07384 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIK3CA P42336 2/20 0.32
SGK1 O00141 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL4139891 0.90 BMP1 (0.39) BMP1TRPV4CCR1ADAM17MAPT
SCHEMBL4141037 0.81 BMP1 (0.37) BMP1TRPV4CCR1ADAM17MAPT
SCHEMBL4136156 0.81 TRPV4 (0.48) BMP1TRPV4CTSBCTSSCCR1
SCHEMBL4136278 0.81 BMP1 (0.39) BMP1TRPV4CCR1ADAM17FABP4
SCHEMBL5435367 0.80 BMP1 (0.40) BMP1TRPV4CCR1ADAM17FABP4
SCHEMBL4133715 0.79 CCR1 (0.36) BMP1TRPV4CCR1ADAM17PIK3CA
SCHEMBL4136298 0.79 CCR1 (0.38) BMP1TRPV4CCR1ADAM17CAPN1
SCHEMBL4135938 0.79 BMP1 (0.36) BMP1TRPV4CCR1ADAM17FABP4
SCHEMBL4140703 0.78 TRPV4 (0.37) BMP1TRPV4CCR1ADAM17
SCHEMBL4141707 0.78 CCR1 (0.39) BMP1TRPV4CCR1ADAM17CAPN1

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 BMP1 2172/4885TRPV4 1/4885CTSB 3636/4885

“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.