SCHEMBL6120463

SCHEMBL6120463

CSc1cccc(-c2cc(Cl)cnc2-c2ccc(C)nc2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 16/20 0.56
▸ PTGS1 P23219 9/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ MAPK14 Q16539 1/20 0.56
▸ IDO1 P14902 1/20 0.37
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL5774670 0.87 PTGS2 (0.64) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL24721532 0.79 IDO1 (0.47) IDO1
SCHEMBL17878838 0.78 PTGS2 (0.71) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL237979 0.78 PTGS2 (0.78) PTGS2PTGS1ABCC4ABCB11PDE4D
Hydrochloric Acid SCHEMBL4892177 0.77 PTGS2 (0.76) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL4027051 0.77 PTGS2 (0.66) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL14422875 0.76 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL5551731 0.76 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL13114284 0.76 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL5550637 0.74 PTGS2 (0.61) PTGS2PTGS1ABCC4ABCB11PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841457-B2 Process for cyclooxygenase-2 selective inhibitor VIRDEV INTERMEDIATES PVT. LTD. (IN) 2014-09-23 — — US claimed
US-20130245272-A1 PROCESS FOR CYCLOOXYGENASE-2 SELECTIVE INHIBITOR VIRDEV INTERMEDIATES PVT. LTD. (IN) 2013-09-19 — — US claimed
EP-2649049-B1 PROCESS TO PRODUCE ETORICOXIB VIRDEV INTERMEDIATES PVT LTD (IN) 2016-08-24 — — EP disclosed
US-8841457-B2 Process for cyclooxygenase-2 selective inhibitor VIRDEV INTERMEDIATES PVT. LTD. (IN) 2014-09-23 — — US disclosed
EP-2649049-A2 PRODUCE TO PRODUCE ETORICOXIB Virdev Intermediates Pvt. Ltd. (IN) 2013-10-16 — — EP disclosed
US-20130245272-A1 PROCESS FOR CYCLOOXYGENASE-2 SELECTIVE INHIBITOR VIRDEV INTERMEDIATES PVT. LTD. (IN) 2013-09-19 — — US disclosed
WO-2012066570-A2 A PROCESS FOR CYCLOOXYGENASE-2 SELECTIVE INHIBITOR VIRDEV INTERMEDIATES PVT. LTD. (IN) 2012-05-24 — — 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 (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-20130245272-A1 PROCESS FOR CYCLOOXYGENASE-2 SELECTIVE INHIBITOR PTGS2, PTGIS, PTGES2 PTGS2 1/4885PTGS1 4/4885ABCC4 2658/4885

“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.

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