SCHEMBL12373575

SCHEMBL12373575

CCn1c(C(C)NS(=O)(=O)c2ccc(C#N)cc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.54
MMP13 P45452 3/20 0.43
ADAMTS4 O75173 1/20 0.43
ALDH1A1 P00352 1/20 0.42
P2RX3 P56373 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MMP7 P09237 2/20 0.39
MMP9 P14780 2/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
FPR1 P21462 1/20 0.39

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
SCHEMBL12373517 0.93 S1PR1 (0.44) S1PR1MMP13ALDH1A1
SCHEMBL4119410 0.90 CNR1 (0.47) S1PR1MMP13ALDH1A1MMP1MMP2
SCHEMBL12373478 0.90 S1PR1 (0.48) S1PR1MMP13ADAMTS4P2RX3
SCHEMBL12373468 0.89 S1PR1 (0.42) S1PR1MMP13ADAMTS4MMP1MMP2
SCHEMBL12373577 0.89 FFAR1 (0.47) S1PR1MMP13ADAMTS4ALDH1A1MMP1
SCHEMBL12373499 0.89 S1PR1 (0.41) S1PR1MMP13
SCHEMBL12373463 0.89 MMP13 (0.41) S1PR1MMP13ALDH1A1MMP9
SCHEMBL12373495 0.88 S1PR1 (0.43) S1PR1ADAMTS4
SCHEMBL12373473 0.88 S1PR1 (0.53) S1PR1ALDH1A1
SCHEMBL12373509 0.88 S1PR1 (0.41) S1PR1MMP13

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 1/4885MMP13 3607/4885ADAMTS4 3922/4885

“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.