SCHEMBL12373503

SCHEMBL12373503

CCn1c(C(C)NS(=O)(=O)c2ccc3ccccc3c2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.43
S1PR1 P21453 7/20 0.41
PGR P06401 1/20 0.41
KAT6A Q92794 1/20 0.41
S1PR3 Q99500 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
RAPGEF3 O95398 1/20 0.38
MMP13 P45452 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ADAMTS4 O75173 1/20 0.38

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
SCHEMBL12373577 0.90 FFAR1 (0.47) S1PR1MMP13ALDH1A1ADAMTS4
SCHEMBL12373463 0.90 MMP13 (0.41) S1PR1MMP13ALDH1A1
SCHEMBL12373517 0.90 S1PR1 (0.44) S1PR1S1PR3MMP13ALDH1A1
SCHEMBL12373690 0.89 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL12373539 0.89 ADAMTS4 (0.43) S1PR1MMP13ALDH1A1ADAMTS4
SCHEMBL12373523 0.89 KMT2A (0.40) S1PR1S1PR3MMP13ALDH1A1
SCHEMBL12373595 0.87 CNR1 (0.43) S1PR1S1PR3MMP13
SCHEMBL4119410 0.87 CNR1 (0.47) S1PR1S1PR3MMP13ALDH1A1
SCHEMBL12373648 0.87 S1PR1 (0.40) S1PR1S1PR3MMP13
SCHEMBL12373489 0.87 LMNA (0.43) S1PR1S1PR3ALDH1A1

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 CYSLTR1 317/4885S1PR1 1/4885PGR 1817/4885

“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.