SCHEMBL17854672

SCHEMBL17854672

CC(C)(C)C(=O)C1=Cc2cc(Cl)c(C(C)(C)C)cc2OC1C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.80
PTGS1 P23219 13/20 0.80

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
SCHEMBL16893911 0.89 PTGS2 (0.81) PTGS2PTGS1
Tigemocoxib SCHEMBL30656557 0.89 PTGS2 (1.00) PTGS2PTGS1
Tigemocoxib SCHEMBL30656575 0.89 PTGS2 (1.00) PTGS2PTGS1
Tigemocoxib SCHEMBL2736424 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL16893912 0.89 PTGS2 (0.81) PTGS2PTGS1
Tigemocoxib SCHEMBL216759 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL17858788 0.89 PTGS2 (0.81) PTGS2PTGS1
Tigemocoxib SCHEMBL5171872 0.89 PTGS2 (1.00) PTGS2PTGS1
Tigemocoxib SCHEMBL29528190 0.89 PTGS2 (1.00) PTGS2PTGS1
Tigemocoxib SCHEMBL15845456 0.88 PTGS2 (0.97) PTGS2PTGS1

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-9452220-B2 Coupling compounds of NSAID anti-inflammatory and analgesic drugs and EGFR kinase inhibitors, synthesis methods and applications thereof GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-27 US disclosed
US-20160175453-A1 COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-23 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-20160175453-A1 COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF EGFR, CHUK, ERBB2 PTGS2 9/4885PTGS1 5/4885

“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.