SCHEMBL12373468

SCHEMBL12373468

CCCCOc1ccc(S(=O)(=O)NC(C)c2cnc(Oc3ccc(C)cc3)n2CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.42
MMP13 P45452 3/20 0.41
TSHR P16473 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MMP3 P08254 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
KCNA5 P22460 2/20 0.39
LMNA P02545 2/20 0.39
ITGB3 P05106 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 0.94 S1PR1 (0.44) S1PR1MMP13TSHRCYP2D6CYP2C19
SCHEMBL4119410 0.91 CNR1 (0.47) S1PR1MMP13MMP3CA12CA2
SCHEMBL12373577 0.90 FFAR1 (0.47) S1PR1MMP13HTTSMN1; SMN2MMP3
SCHEMBL12373499 0.90 S1PR1 (0.41) S1PR1MMP13CA12CA2CA9
SCHEMBL12373463 0.90 MMP13 (0.41) S1PR1MMP13SMN1; SMN2MMP9CNR1
SCHEMBL12373575 0.89 S1PR1 (0.54) S1PR1MMP13MMP3MMP2MMP9
SCHEMBL12373540 0.89 ALDH1A1 (0.41) S1PR1MMP13HTTCA12CA2
SCHEMBL12373464 0.89 KDM4E (0.41) S1PR1MMP13CA12CA2CA9
SCHEMBL12373495 0.89 S1PR1 (0.43) S1PR1HTTSMN1; SMN2CA12CA2
SCHEMBL12373473 0.89 S1PR1 (0.53) S1PR1CYP2D6CYP2C19

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 3607/4885TSHR 861/4885

“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.