SCHEMBL12156366

SCHEMBL12156366

CCc1ccc(S(=O)(=O)NC(C)c2ccnc(Oc3cccc(N4CCOCC4)c3)c2CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
TP53 P04637 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
BRD4 O60885 1/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL12156362 0.94 S1PR1 (0.42) S1PR1MMP1MMP2MMP3MMP13
SCHEMBL12156369 0.93 MMP2 (0.47) S1PR1MMP1MMP2MMP3MMP13
SCHEMBL12156381 0.93 S1PR1 (0.51) S1PR1MMP1MMP2MMP3MMP13
SCHEMBL12156374 0.92 S1PR1 (0.40) S1PR1MMP1MMP2MMP3MMP13
SCHEMBL12156372 0.91 HTR2A (0.43) S1PR1MMP1MMP2MMP3MMP13
SCHEMBL12156376 0.91 S1PR1 (0.42) S1PR1MMP1MMP2MMP3MMP13
SCHEMBL12156375 0.91 S1PR1 (0.41) S1PR1MMP1MMP2MMP3MMP13
SCHEMBL12156385 0.91 POLB (0.44) S1PR1MMP1MMP2MMP3MMP13
SCHEMBL12156331 0.90 S1PR1 (0.43) S1PR1MMP1MMP2MMP3MMP13
SCHEMBL12156367 0.90 BRD4 (0.41) S1PR1MMP1MMP2MMP3MMP13

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-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 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-20100234594-A1 INHIBITOR OF BINDING OF S1P1 S1PR1, S1PR3, EDNRB S1PR1 1/4885TP53 738/4885MMP1 1251/4885

“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.