SCHEMBL12373775

SCHEMBL12373775

CCn1c(C(C)NS(=O)(=O)c2csc(C(F)(F)F)c2-c2ccccc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.35
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
HTR6 P50406 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.32
NR3C1 P04150 1/20 0.32
CASP1 P29466 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
FEN1 P39748 2/20 0.31

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
SCHEMBL12373538 0.84 SLC22A12 (0.40) S1PR1CYP2C9CASP1
SCHEMBL12373780 0.83 HTR2C (0.40) BCL2L1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12161577 0.81 S1PR1 (0.43) S1PR1BCL2BCL2L1HTR6NR3C1
SCHEMBL12373591 0.81 ALDH1A1 (0.38) S1PR1CYP1A2CYP2C9ALDH1A1CASP1
SCHEMBL12373520 0.81 CASP1 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL12373573 0.81 CASP1 (0.41) S1PR1CASP1
SCHEMBL12373539 0.80 ADAMTS4 (0.43) S1PR1ALDH1A1
SCHEMBL12373501 0.80 CYP1A2 (0.41) S1PR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12373463 0.80 MMP13 (0.41) S1PR1ALDH1A1
SCHEMBL12373700 0.80 FEN1 (0.39) CASP1FEN1

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 1/4885BCL2 3539/4885BCL2L1 1715/4885

“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.