SCHEMBL13430673

SCHEMBL13430673

COOSc1ccc(-c2cc(Cl)cnc2-c2ccc(C)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 15/20 0.58
▸ PTGS1 P23219 8/20 0.58
▸ ABCC4 O15439 1/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ MAPK14 Q16539 1/20 0.58
▸ KDM1A O60341 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.33
▸ MALT1 Q9UDY8 2/20 0.32

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 0.83 PTGS2 (0.64) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL17878838 0.80 PTGS2 (0.71) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL25150436 0.78 PTGS2 (0.64) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL13114284 0.78 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL5551731 0.78 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL14422875 0.78 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL16093186 0.76 PTGS2 (0.64) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL14429592 0.74 PTGS2 (0.63) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL6120463 0.74 PTGS2 (0.56) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL14163956 0.74 PTGS2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069483-A1 DUAL INHIBITION OF CYCLOOXYGENASE-2 AND CARBONIC ANHYDRASE AMOREPACIFIC CORPORATION (KR) 2010-03-18 — — US disclosed
US-20080306146-A1 Dosing Regimens for Cox-2 Inhibitor AMOREPACIFIC CORPORATION (KR) 2008-12-11 — — 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 (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-20080306146-A1 Dosing Regimens for Cox-2 Inhibitor PTGES2, PTGS2, PTGER2 PTGS2 2/4885PTGS1 4/4885ABCC4 3272/4885
US-20100069483-A1 DUAL INHIBITION OF CYCLOOXYGENASE-2 AND CARBONIC ANHYDRASE PTGS2, CA2, PTGES2 PTGS2 1/4885PTGS1 4/4885ABCC4 3676/4885

“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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