SCHEMBL12373780

SCHEMBL12373780

CCn1c(C(C)NS(=O)(=O)c2csc3ccccc23)cnc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
CASP1 P29466 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CCR1 P32246 1/20 0.33
CCR2 P41597 1/20 0.33
CCR4 P51679 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GHSR Q92847 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL12373511 0.85 PGR (0.42) CASP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12373520 0.85 CASP1 (0.39) CASP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12373501 0.84 CYP1A2 (0.41) CASP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12373747 0.84 S1PR1 (0.36) CASP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12373463 0.84 MMP13 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL12373547 0.83 PGR (0.40) CASP1MEN1KMT2AALDH1A1CCR4
SCHEMBL12373704 0.83 CASP1 (0.45) CASP1SMN1; SMN2
SCHEMBL12373591 0.83 ALDH1A1 (0.38) CASP1CYP1A2CYP2C9MEN1KMT2A
SCHEMBL12373466 0.83 POLB (0.40) CASP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12373775 0.83 S1PR1 (0.35) CASP1CYP1A2CYP3A4CYP2C9CYP2C19

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 HTR2C 1266/4885CASP1 1552/4885CYP1A2 2848/4885

“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.