SCHEMBL8738325

SCHEMBL8738325

Cc1nc(C(=O)NC2CCN(C(C)C)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.42
CFTR P13569 4/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MEN1 O00255 10/20 0.40
MAPT P10636 10/20 0.40
KMT2A Q03164 10/20 0.40
GAA P10253 5/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 5/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALB P02768 1/20 0.40
HSD17B10 Q99714 1/20 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
SCHEMBL8738385 0.94 TRPV4 (0.42) TRPV4CFTRMEN1MAPTKMT2A
SCHEMBL8738382 0.92 MAPT (0.47) TRPV4CFTRITGB3ITGA2BMEN1
SCHEMBL8738809 0.87 TRPV4 (0.45) TRPV4CFTRMEN1MAPTKMT2A
SCHEMBL8738646 0.86 TRPV4 (0.42) TRPV4CFTRITGB3ITGA2BMEN1
SCHEMBL8738410 0.84 TRPV4 (0.43) TRPV4CFTRMEN1MAPTKMT2A
SCHEMBL8738769 0.83 MAPT (0.48) TRPV4CFTRMEN1MAPTKMT2A
SCHEMBL8737969 0.83 TRPV4 (0.43) TRPV4CFTRMEN1MAPTKMT2A
SCHEMBL6113997 0.83 TDP1 (0.48) CFTRMEN1MAPTKMT2AGAA
SCHEMBL8738439 0.82 MAPT (0.42) CFTRMEN1MAPTKMT2AGAA
SCHEMBL8737795 0.81 TRPV4 (0.46) TRPV4CFTRMEN1MAPTKMT2A

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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 TRPV4 3344/4885CFTR 1173/4885ITGB3 701/4885

“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.