SCHEMBL12373501

SCHEMBL12373501

CCn1c(C(C)NS(=O)(=O)c2ccccc2S(C)(=O)=O)cnc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP1 P29466 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S1PR1 P21453 2/20 0.35
ITGAV P06756 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
FFAR1 O14842 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX3 P56373 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL12373520 0.91 CASP1 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19CASP1
SCHEMBL12373466 0.89 POLB (0.40) CYP1A2CYP3A4CYP2C9CYP2C19CASP1
SCHEMBL12373591 0.89 ALDH1A1 (0.38) CYP1A2CYP2C9CASP1MEN1KMT2A
SCHEMBL12373704 0.89 CASP1 (0.45) CASP1SMN1; SMN2ITGAVTSHRHSD17B10
SCHEMBL12373547 0.89 PGR (0.40) CASP1MEN1KMT2AS1PR1P2RX3
SCHEMBL12373463 0.88 MMP13 (0.41) SMN1; SMN2S1PR1MMP9FFAR1ALDH1A1
SCHEMBL12373700 0.88 FEN1 (0.39) CASP1MEN1KMT2A
SCHEMBL12373511 0.88 PGR (0.42) CYP1A2CYP3A4CYP2C9CYP2C19CASP1
SCHEMBL12373498 0.88 P2RX3 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19S1PR1
SCHEMBL12373538 0.87 SLC22A12 (0.40) CYP2C9CASP1S1PR1MMP13

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 CYP1A2 2848/4885CYP3A4 3578/4885CYP2C9 3666/4885

“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.