SCHEMBL1655417

SCHEMBL1655417

CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)oc12

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.77
CA12 O43570 5/20 0.61
CA1 P00915 5/20 0.61
CA2 P00918 5/20 0.61
CA4 P22748 5/20 0.61
CA5A P35218 5/20 0.61
CA7 P43166 5/20 0.61
CA5B Q9Y2D0 5/20 0.61
MAOB P27338 2/20 0.61
NT5E P21589 1/20 0.52
MAPT P10636 2/20 0.51
TP53 P04637 2/20 0.51
KDM4E B2RXH2 2/20 0.50
MAOA P21397 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CNR2 P34972 1/20 0.46

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
SCHEMBL3880659 0.88 S1PR1 (0.65) S1PR1MAOBMAPTTP53MAOA
SCHEMBL1654596 0.87 S1PR1 (1.00) S1PR1CA12CA1CA2CA4
SCHEMBL1654616 0.87 S1PR1 (1.00) S1PR1CA12CA1CA2CA4
SCHEMBL3885669 0.87 S1PR1 (0.64) S1PR1CA12CA1CA2CA4
SCHEMBL3879045 0.87 S1PR1 (0.64) S1PR1CA12CA1CA2CA4
SCHEMBL14322649 0.87 S1PR1 (0.82) S1PR1CA12CA1CA2CA4
SCHEMBL1654629 0.87 S1PR1 (0.66) S1PR1MAOBMAPTTP53MAOA
SCHEMBL14322300 0.85 S1PR1 (0.68) S1PR1MAOBMAPTTP53MAOA
SCHEMBL3883039 0.85 S1PR1 (0.64) S1PR1MAOBMAPTTP53MAOA
SCHEMBL3880669 0.85 S1PR1 (0.64) S1PR1MAOBMAPTTP53MAOA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9572792-B2 Coumarin compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2017-02-21 US claimed
US-20150265573-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. 2015-09-24 US claimed
US-9073888-B2 Coumarin compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2015-07-07 US claimed
EP-2491023-B1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN INC (US) 2014-12-31 EP claimed
US-20120328661-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2012-12-27 US claimed
EP-2491023-A2 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY Allergan, Inc. (US) 2012-08-29 EP claimed
WO-2011050054-A2 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-04-28 WO claimed
US-9572792-B2 Coumarin compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2017-02-21 US disclosed
US-20150265573-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. 2015-09-24 US disclosed
US-9073888-B2 Coumarin compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2015-07-07 US disclosed
EP-2491023-B1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN INC (US) 2014-12-31 EP disclosed
US-20120328661-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2012-12-27 US disclosed
EP-2491023-A2 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY Allergan, Inc. (US) 2012-08-29 EP disclosed
WO-2011050054-A2 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-04-28 WO 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 (2 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-20150265573-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR3, S1PR1, S1PR2 S1PR1 2/4885CA12 4409/4885CA1 4396/4885
US-20120328661-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR3, S1PR1, S1PR2 S1PR1 2/4885CA12 4409/4885CA1 4396/4885

“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.