SCHEMBL12373509

SCHEMBL12373509

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.41
CNR1 P21554 1/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MMP13 P45452 1/20 0.38
S1PR3 Q99500 1/20 0.38
CA1 P00915 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 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) S1PR1CNR1CA2CA12CA9
SCHEMBL4119410 0.92 CNR1 (0.47) S1PR1CNR1CA2CA12CA9
SCHEMBL12373577 0.91 FFAR1 (0.47) S1PR1MMP13FFAR1CYP2C19
SCHEMBL12373499 0.91 S1PR1 (0.41) S1PR1CNR1CA2CA12CA9
SCHEMBL12373463 0.91 MMP13 (0.41) S1PR1CNR1MMP13FFAR1
SCHEMBL12373493 0.90 S1PR1 (0.41) S1PR1CNR1CA2CA12CA9
SCHEMBL12373595 0.90 CNR1 (0.43) S1PR1CNR1CA2CA12CA9
SCHEMBL12373495 0.90 S1PR1 (0.43) S1PR1CNR1CA2CA12CA9
SCHEMBL12373464 0.90 KDM4E (0.41) S1PR1CNR1CA2CA12CA9
SCHEMBL12373473 0.90 S1PR1 (0.53) S1PR1S1PR3KMT2ACYP2D6CYP2C19

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 1/4885CNR1 17/4885CA2 1139/4885

“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.