SCHEMBL12373498

SCHEMBL12373498

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
S1PR1 P21453 4/20 0.33
ACACB O00763 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
SCHEMBL12373491 0.91 PTGS1 (0.36) P2RX3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12373517 0.89 S1PR1 (0.44) ALDH1A1CYP2C19S1PR1
SCHEMBL12373501 0.88 CYP1A2 (0.41) P2RX3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12373499 0.87 S1PR1 (0.41) S1PR1
SCHEMBL12373563 0.87 S1PR1 (0.35) P2RX3S1PR1
SCHEMBL12373463 0.87 MMP13 (0.41) ALDH1A1MMP9S1PR1
SCHEMBL12373520 0.86 CASP1 (0.39) P2RX3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12373527 0.86 ALDH1A1 (0.43) ALDH1A1CYP2C19
SCHEMBL4119410 0.86 CNR1 (0.47) ALDH1A1MMP2MMP9S1PR1
SCHEMBL12373648 0.86 S1PR1 (0.40) P2RX3S1PR1

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 P2RX3 791/4885ALDH1A1 2969/4885CYP1A2 2848/4885

“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.