SCHEMBL4139727

SCHEMBL4139727

CC(C)C[C@H](NC(=O)CCc1ccccc1Cl)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 2/20 0.47
CAPN1 P07384 5/20 0.46
TRPV4 Q9HBA0 1/20 0.42
CTSL P07711 2/20 0.42
ANPEP P15144 1/20 0.41
ADAM17 P78536 1/20 0.40
CCR1 P32246 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CACNA1B Q00975 2/20 0.37
CAPN2 P17655 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
FABP4 P15090 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL5435371 0.89 BMP1 (0.50) BMP1CAPN1TRPV4CTSLANPEP
SCHEMBL4140706 0.88 CAPN1 (0.46) BMP1CAPN1TRPV4CTSLANPEP
SCHEMBL4135473 0.87 CAPN1 (0.47) BMP1CAPN1TRPV4CTSLANPEP
SCHEMBL4145547 0.87 CAPN1 (0.46) BMP1CAPN1TRPV4CTSLANPEP
SCHEMBL5439393 0.85 BMP1 (0.46) BMP1CAPN1TRPV4CTSLADAM17
SCHEMBL5438955 0.84 BMP1 (0.44) BMP1CAPN1TRPV4CTSLADAM17
SCHEMBL4130365 0.83 CAPN1 (0.43) BMP1CAPN1TRPV4CTSLANPEP
SCHEMBL4142864 0.83 CAPN1 (0.51) BMP1CAPN1TRPV4CTSLADAM17
SCHEMBL4130820 0.83 CAPN1 (0.47) BMP1CAPN1TRPV4CTSLADAM17
SCHEMBL5439623 0.82 CAPN1 (0.47) BMP1CAPN1TRPV4CTSLADAM17

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 BMP1 2172/4885CAPN1 2031/4885TRPV4 1/4885

“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.