SCHEMBL12373550

SCHEMBL12373550

CCn1c(C(C)NS(=O)(=O)c2ccc(F)c(Cl)c2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.59
S1PR3 Q99500 1/20 0.59
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PABPC1 P11940 1/20 0.41
TP53 P04637 1/20 0.40
AGTR1 P30556 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
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
SCHEMBL12373619 0.92 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL2278141 0.92 S1PR1 (0.48) S1PR1S1PR3KMT2AALDH1A1SMN1; SMN2
SCHEMBL12373481 0.91 S1PR1 (0.47) S1PR1S1PR3KMT2AALDH1A1SMN1; SMN2
SCHEMBL12373675 0.89 S1PR1 (0.45) S1PR1S1PR3SMN1; SMN2
SCHEMBL12373473 0.89 S1PR1 (0.53) S1PR1S1PR3KMT2AALDH1A1CYP2D6
SCHEMBL12373549 0.88 S1PR1 (0.44) S1PR1S1PR3KMT2ACYP2D6CYP2C19
SCHEMBL12373517 0.88 S1PR1 (0.44) S1PR1S1PR3KMT2AALDH1A1CYP2D6
SCHEMBL12373681 0.88 S1PR1 (0.44) S1PR1S1PR3ALDH1A1
SCHEMBL12373623 0.88 S1PR1 (0.44) S1PR1S1PR3ALDH1A1SMN1; SMN2
SCHEMBL12373790 0.87 S1PR1 (0.52) S1PR1S1PR3KMT2AALDH1A1SMN1; SMN2

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 1/4885S1PR3 2/4885KMT2A 3906/4885

“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.