SCHEMBL12156367

SCHEMBL12156367

CCc1c(C(C)NS(=O)(=O)c2cccc(C)c2)ccnc1Oc1cccc(N2CCOCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.41
S1PR1 P21453 1/20 0.39
F2 P00734 1/20 0.37
MAPT P10636 4/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP13 P45452 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 0.93 S1PR1 (0.42) BRD4S1PR1MAPTTSHRPTGS1
SCHEMBL12156382 0.91 BRD4 (0.41) BRD4S1PR1MAPTTSHRPTGS1
SCHEMBL12156390 0.90 S1PR1 (0.42) BRD4S1PR1MAPTPTGS1PTGS2
SCHEMBL12156396 0.90 BRD4 (0.42) BRD4S1PR1PTGS1PTGS2MMP1
SCHEMBL12156366 0.90 S1PR1 (0.43) BRD4S1PR1MAPTPTGS1PTGS2
SCHEMBL12156331 0.89 S1PR1 (0.43) BRD4S1PR1MAPTPTGS1PTGS2
SCHEMBL12156369 0.89 MMP2 (0.47) BRD4S1PR1MAPTPTGS1PTGS2
SCHEMBL12156381 0.89 S1PR1 (0.51) BRD4S1PR1MAPTPTGS1PTGS2
SCHEMBL12156407 0.88 S1PR1 (0.39) BRD4S1PR1MAPTPTGS1PTGS2
SCHEMBL12156402 0.88 BRD4 (0.40) BRD4S1PR1MAPTPTGS1PTGS2

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 BRD4 3068/4885S1PR1 1/4885F2 1004/4885

“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.