SCHEMBL12373473

SCHEMBL12373473

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.53
KMT2A Q03164 2/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
S1PR3 Q99500 1/20 0.43

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
SCHEMBL12373517 0.95 S1PR1 (0.44) S1PR1KMT2ACYP2D6CYP2C19ALDH1A1
SCHEMBL12373595 0.92 CNR1 (0.43) S1PR1KMT2ACYP2D6CYP2C19S1PR3
SCHEMBL4119410 0.92 CNR1 (0.47) S1PR1ALDH1A1POLBL3MBTL1S1PR3
SCHEMBL12373549 0.91 S1PR1 (0.44) S1PR1KMT2ACYP2D6CYP2C19S1PR3
SCHEMBL12373499 0.91 S1PR1 (0.41) S1PR1KMT2AS1PR3
SCHEMBL12373577 0.91 FFAR1 (0.47) S1PR1CYP2C19ALDH1A1
SCHEMBL12373463 0.91 MMP13 (0.41) S1PR1ALDH1A1
SCHEMBL12373495 0.90 S1PR1 (0.43) S1PR1S1PR3
SCHEMBL12373464 0.90 KDM4E (0.41) S1PR1KMT2AALDH1A1S1PR3
SCHEMBL12373509 0.90 S1PR1 (0.41) S1PR1KMT2ACYP2D6CYP2C19S1PR3

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 S1PR1 1/4885KMT2A 3906/4885CYP2D6 3281/4885

“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.