SCHEMBL12373491

SCHEMBL12373491

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
P2RX3 P56373 10/20 0.36
CNR1 P21554 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FFAR1 O14842 1/20 0.34
S1PR1 P21453 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL12373498 0.91 P2RX3 (0.35) P2RX3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12373629 0.89 MEN1 (0.37) PTGS1PTGS2P2RX3HTTSMN1; SMN2
SCHEMBL12373518 0.89 ALDH1A1 (0.45) P2RX3CNR1HTTSMN1; SMN2ALDH1A1
SCHEMBL12373517 0.89 S1PR1 (0.44) CNR1CYP2C19FFAR1S1PR1ALDH1A1
SCHEMBL12373708 0.88 KDM4E (0.39) PTGS1P2RX3CNR1ALDH1A1
SCHEMBL12373699 0.88 P2RX3 (0.39) PTGS1PTGS2P2RX3CNR1HTT
SCHEMBL12373577 0.87 FFAR1 (0.47) HTTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL12373563 0.87 S1PR1 (0.35) P2RX3CNR1S1PR1
SCHEMBL12373463 0.87 MMP13 (0.41) CNR1SMN1; SMN2FFAR1S1PR1ALDH1A1
SCHEMBL12373689 0.87 CNR1 (0.38) CNR1ALDH1A1MEN1KMT2A

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 PTGS1 513/4885PTGS2 2040/4885P2RX3 791/4885

“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.