SCHEMBL4139891

SCHEMBL4139891

CC(C)C[C@@H](C(N)=O)N(CCCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.39
ACKR3 P25106 8/20 0.37
HPGDS O60760 1/20 0.37
TRPV4 Q9HBA0 2/20 0.36
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
TP53 P04637 2/20 0.34
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
CCR1 P32246 1/20 0.34
CAPN1 P07384 1/20 0.34
ADAM17 P78536 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4136152 0.90 BMP1 (0.39) BMP1TRPV4ALOX5APFEN1CCR1
SCHEMBL4141037 0.80 BMP1 (0.37) BMP1TRPV4CCR1ADAM17MAPT
SCHEMBL4136278 0.80 BMP1 (0.39) BMP1TRPV4CCR1ADAM17
SCHEMBL4136447 0.80 TRPV4 (0.50) BMP1ACKR3HPGDSTRPV4TP53
SCHEMBL5435367 0.79 BMP1 (0.40) BMP1TRPV4CCR1ADAM17
SCHEMBL4140703 0.78 TRPV4 (0.37) BMP1TRPV4CCR1ADAM17
SCHEMBL4133715 0.78 CCR1 (0.36) BMP1TRPV4TP53CCR1ADAM17
SCHEMBL4136298 0.78 CCR1 (0.38) BMP1TRPV4CCR1CAPN1ADAM17
SCHEMBL4135938 0.78 BMP1 (0.36) BMP1TRPV4CCR1CAPN1ADAM17
SCHEMBL4128102 0.78 TRPM8 (0.40) ACKR3TRPV4CCR1

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 2172/4885ACKR3 143/4885HPGDS 1262/4885

“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.