SCHEMBL12328443

SCHEMBL12328443

N#Cc1cc(F)cc(C(=O)c2cc(Cl)ccc2OCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 10/20 0.54
▸ AKR1B1 P15121 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ TSHR P16473 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ CYSLTR1 Q9Y271 1/20 0.45
▸ SLC2A1 P11166 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL5325030 0.90 PTGDR2 (0.57) PTGDR2AKR1B1TDP1TSHRMRGPRX4
SCHEMBL14419229 0.88 PTGDR2 (0.57) PTGDR2TDP1TSHRMAPT
SCHEMBL13743326 0.88 MRGPRX4 (0.44) PTGDR2MRGPRX4SLC2A1MAPT
SCHEMBL14419689 0.87 PTGDR2 (0.54) PTGDR2AKR1B1TDP1TSHRMRGPRX4
SCHEMBL14419576 0.86 SLC2A1 (0.45) PTGDR2TDP1MRGPRX4SLC2A1MAPT
SCHEMBL12328442 0.84 POLB (0.49) MRGPRX4MAPT
SCHEMBL14355595 0.83 PTGDR2 (0.50) PTGDR2TDP1TSHRCYSLTR1MAPT
SCHEMBL13715470 0.83 PTGDR2 (0.55) PTGDR2AKR1B1TDP1TSHRMAPT
SCHEMBL13715350 0.81 PTGDR2 (0.55) PTGDR2TDP1TSHRMAPT
SCHEMBL14419297 0.81 PTGDR2 (0.57) PTGDR2TDP1TSHRCYSLTR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781600-B1 BENZOIC ACID DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-09-28 — — EP disclosed
US-7569723-B2 Benzoic acid derivatives as non nucleoside reverse-transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 — — US disclosed
US-7569723-B2 Benzoic acid derivatives as non nucleoside reverse-transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 — — US disclosed
US-20080114068-A1 BENZOIC ACID DERIVATIVES AS NON NUCLEOSIDE REVERSE-TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 — — US disclosed
US-20080114068-A1 BENZOIC ACID DERIVATIVES AS NON NUCLEOSIDE REVERSE-TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 — — US disclosed
US-7300948-B2 Alkynyl compounds as non nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-27 — — US disclosed
US-7300948-B2 Alkynyl compounds as non nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-27 — — US disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 — — 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-20080114068-A1 BENZOIC ACID DERIVATIVES AS NON NUCLEOSIDE REVERSE-TRANSCRIPTASE INHIBITORS POLR2A, POLR1A, RTF1 PTGDR2 2659/4885AKR1B1 410/4885TDP1 93/4885

“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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