SCHEMBL12373699

SCHEMBL12373699

CCn1c(C(C)NS(=O)(=O)Cc2ccncc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.39
MMP2 P08253 3/20 0.38
MMP9 P14780 2/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MMP13 P45452 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTGS1 P23219 2/20 0.36
GALR3 O60755 1/20 0.36
CYP3A4 P08684 1/20 0.36
STAT3 P40763 1/20 0.36
MAPK14 Q16539 1/20 0.36
PTGS2 P35354 1/20 0.36
POLB P06746 2/20 0.35
ADAMTS4 O75173 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.34
NR2F2 P24468 1/20 0.34

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
SCHEMBL12373518 0.92 ALDH1A1 (0.45) P2RX3MMP2MMP9ALDH1A1KDM4E
SCHEMBL12373491 0.88 PTGS1 (0.36) P2RX3ALDH1A1MMP13HTTSMN1; SMN2
SCHEMBL12373626 0.85 HTT (0.37) P2RX3HTTSMN1; SMN2CYP3A4
SCHEMBL12373701 0.84 S1PR1 (0.42) P2RX3ALDH1A1MMP13POLBADAMTS4
SCHEMBL12373645 0.84 MEN1 (0.40) P2RX3MMP2MMP9ALDH1A1KDM4E
SCHEMBL12373498 0.83 P2RX3 (0.35) P2RX3MMP2MMP9ALDH1A1CYP3A4
SCHEMBL12373629 0.82 MEN1 (0.37) P2RX3MMP2MMP9ALDH1A1MMP13
SCHEMBL12373689 0.82 CNR1 (0.38) ALDH1A1KDM4EMEN1KMT2ACNR1
SCHEMBL12373517 0.81 S1PR1 (0.44) ALDH1A1MMP13KMT2ACNR1
SCHEMBL12373708 0.81 KDM4E (0.39) P2RX3ALDH1A1KDM4EPTGS1CNR1

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 791/4885MMP2 3384/4885MMP9 4163/4885

“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.