SCHEMBL12373704

SCHEMBL12373704

CCn1c(C(C)NS(=O)(=O)c2ccccc2OC)cnc1Oc1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.45
MRGPRX1 Q96LB2 2/20 0.38
ITGAV P06756 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.36
CASP7 P55210 1/20 0.36
ALPL P05186 2/20 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
SCHEMBL12373568 0.90 POLB (0.44) CASP1SMN1; SMN2HSD17B10TSHRCASP7
SCHEMBL12373520 0.90 CASP1 (0.39) CASP1ITGAVSMN1; SMN2
SCHEMBL12373573 0.90 CASP1 (0.41) CASP1MRGPRX1ALPL
SCHEMBL12373735 0.90 MMP7 (0.43) SMN1; SMN2ALPL
SCHEMBL12373587 0.90 SMN1; SMN2 (0.46) SMN1; SMN2ALPL
SCHEMBL12373501 0.89 CYP1A2 (0.41) CASP1ITGAVSMN1; SMN2HSD17B10TSHR
SCHEMBL12373700 0.89 FEN1 (0.39) CASP1
SCHEMBL12373466 0.89 POLB (0.40) CASP1SMN1; SMN2
SCHEMBL12373591 0.89 ALDH1A1 (0.38) CASP1SMN1; SMN2
SCHEMBL12373547 0.89 PGR (0.40) CASP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 CASP1 1552/4885MRGPRX1 56/4885ITGAV 4240/4885

“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.