SCHEMBL9979968

SCHEMBL9979968

COc1c(Nc2c(Nc3cccc(F)c3Cl)c(=O)c2=O)cccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 8/20 0.47
CXCR2 P25025 5/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
TTR P02766 2/20 0.41
AKR1B10 O60218 1/20 0.41
ABCB11 O95342 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
FABP2 P12104 1/20 0.41
RXRA P19793 1/20 0.41
TBXA2R P21731 1/20 0.41
NR4A1 P22736 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
MAPK1 P28482 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
SCHEMBL9979971 0.83 CXCR2 (0.65) CLCN2CXCR2
SCHEMBL9979973 0.81 CASR (0.54) CXCR2MEN1KMT2AALDH1A1LMNA
SCHEMBL9980053 0.76 CD274 (0.41) CXCR2ALDH1A1LMNA
SCHEMBL9980069 0.76 GAA (0.59) CLCN2CXCR2MEN1KMT2AALDH1A1
SCHEMBL9980067 0.75 CACNA1H (0.46) CYP2C9
SCHEMBL9980056 0.74 CXCR2 (0.35) CXCR2
SCHEMBL9979976 0.74 P2RX7 (0.44) CXCR2
SCHEMBL9980032 0.73 CXCR2 (0.66) CXCR2
SCHEMBL29933044 0.73 ALB (0.55) KMT2AALDH1A1HPGDHTTMAPK1
SCHEMBL184046 0.73 ALB (0.55) KMT2AALDH1A1HPGDHTTMAPK1

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 CLCN2 1665/4885CXCR2 1/4885MEN1 4625/4885

“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.