SCHEMBL12373493

SCHEMBL12373493

CCc1ccc(S(=O)(=O)NC(C)c2cnc(Oc3ccc(C)cc3)n2CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.41
P2RX3 P56373 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR1 P21554 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 1/20 0.38
MMP13 P45452 1/20 0.38
S1PR3 Q99500 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37

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) S1PR1ALDH1A1CNR1CA12CA2
SCHEMBL12373540 0.92 ALDH1A1 (0.41) S1PR1P2RX3ALDH1A1CNR1CA12
SCHEMBL4119410 0.92 CNR1 (0.47) S1PR1ALDH1A1CNR1CA12CA2
SCHEMBL12373577 0.91 FFAR1 (0.47) S1PR1ALDH1A1MMP13
SCHEMBL12373499 0.91 S1PR1 (0.41) S1PR1CNR1CA12CA2CA9
SCHEMBL12373463 0.91 MMP13 (0.41) S1PR1ALDH1A1CNR1MMP13
SCHEMBL12373473 0.90 S1PR1 (0.53) S1PR1ALDH1A1S1PR3
SCHEMBL12373509 0.90 S1PR1 (0.41) S1PR1CNR1CA12CA2CA9
SCHEMBL12373495 0.90 S1PR1 (0.43) S1PR1NPSR1CNR1CA12CA2
SCHEMBL12373464 0.90 KDM4E (0.41) S1PR1ALDH1A1CNR1CA12CA2

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 1/4885P2RX3 791/4885ALDH1A1 2969/4885

“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.