SCHEMBL9980073

SCHEMBL9980073

CCOc1c(Nc2cccc(F)c2Cl)c(=O)c1=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
POLB P06746 2/20 0.49
CXCR2 P25025 3/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CLCN2 P51788 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
EGFR P00533 1/20 0.34
GPR35 Q9HC97 1/20 0.34
METTL3 Q86U44 1/20 0.33

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
SCHEMBL29862970 0.86 GAA (0.62) GAAPOLBCXCR2MAPTSMN1; SMN2
SCHEMBL23421493 0.86 GAA (0.62) GAAPOLBCXCR2MAPTSMN1; SMN2
SCHEMBL23446599 0.85 GAA (0.60) GAAPOLBCXCR2MAPTALDH1A1
SCHEMBL23446843 0.80 GAA (0.69) GAAPOLBCXCR2MAPTALDH1A1
SCHEMBL28585372 0.79 CXCR2 (0.46) GAAPOLBCXCR2ALDH1A1CLCN2
SCHEMBL20721181 0.78 GAA (0.67) GAAPOLBCXCR2MAPTALDH1A1
SCHEMBL7090682 0.77 GAA (0.60) GAAPOLBMAPTALDH1A1LMNA
SCHEMBL7091511 0.77 GAA (0.60) GAAPOLBCXCR2MAPTSMN1; SMN2
SCHEMBL23447854 0.74 GAA (0.69) GAAPOLBCXCR2MAPTALDH1A1
SCHEMBL6106261 0.74 GAA (1.00) GAAPOLBCXCR2MAPTALDH1A1

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
WO-2021104506-A1 CYCLIC SULFONE COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 中国医学科学院药物研究所 2021-06-03 WO disclosed
EP-2651891-B1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
WO-2012080456-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, CCR1 GAA 3299/4885POLB 1579/4885CXCR2 1/4885

“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.