SCHEMBL12373539

SCHEMBL12373539

CCn1c(C(C)NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 8/20 0.43
MMP13 P45452 5/20 0.43
FFAR1 O14842 1/20 0.41
S1PR1 P21453 5/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL12373577 0.94 FFAR1 (0.47) ADAMTS4MMP13FFAR1S1PR1MMP1
SCHEMBL12373463 0.94 MMP13 (0.41) MMP13FFAR1S1PR1MMP9ALDH1A1
SCHEMBL12373517 0.94 S1PR1 (0.44) MMP13FFAR1S1PR1ALDH1A1
SCHEMBL4119410 0.91 CNR1 (0.47) MMP13S1PR1MMP1MMP2MMP3
SCHEMBL12373499 0.90 S1PR1 (0.41) MMP13S1PR1
SCHEMBL12373509 0.89 S1PR1 (0.41) MMP13FFAR1S1PR1
SCHEMBL12373495 0.89 S1PR1 (0.43) ADAMTS4S1PR1
SCHEMBL12373464 0.89 KDM4E (0.41) MMP13S1PR1ALDH1A1
SCHEMBL12373493 0.89 S1PR1 (0.41) MMP13S1PR1ALDH1A1
SCHEMBL12373473 0.89 S1PR1 (0.53) S1PR1ALDH1A1

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 ADAMTS4 3922/4885MMP13 3607/4885FFAR1 52/4885

“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.