SCHEMBL9980069

SCHEMBL9980069

CCOc1c(Nc2cccc(C(=O)O)c2OC)c(=O)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
MAPT P10636 2/20 0.46
CLCN2 P51788 4/20 0.46
CASR P41180 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
CXCR2 P25025 5/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ABL1 P00519 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
RIN1 Q13671 1/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK8 P45983 1/20 0.41
TYK2 P29597 1/20 0.41

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
SCHEMBL14329377 0.89 GAA (0.57) GAAMAPTCLCN2MEN1KMT2A
SCHEMBL9979964 0.86 GAA (0.64) GAAMAPTCLCN2CXCR2
SCHEMBL21803113 0.79 GAA (0.51) GAAMAPTMEN1KMT2ARAB9A
SCHEMBL14329371 0.79 GAA (0.57) GAAMAPTCLCN2MEN1KMT2A
SCHEMBL12573300 0.79 GAA (0.64) GAAMAPTCXCR2POLB
SCHEMBL12310775 0.78 CXCR2 (0.64) GAAMAPTCXCR2
SCHEMBL9980032 0.77 CXCR2 (0.66) CXCR2
SCHEMBL14896251 0.77 GAA (0.61) GAAMAPTCXCR2POLB
SCHEMBL12261158 0.76 CXCR2 (0.62) GAAMAPTCXCR2POLB
SCHEMBL1707274 0.76 CXCR2 (0.66) GAACXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3299/4885MAPT 4497/4885CLCN2 1665/4885

“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.