SCHEMBL9979967

SCHEMBL9979967

COc1c(NC(=O)Nc2cccc(F)c2Cl)cccc1C(=O)N1CC(=O)N2CCCC2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
CXCR2 P25025 11/20 0.42
PARP1 P09874 2/20 0.40
PARP2 Q9UGN5 2/20 0.40
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
PDE2A O00408 1/20 0.37
HTR1F P30939 1/20 0.37
CACNA1H O95180 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9979976 0.89 P2RX7 (0.44) P2RX7CXCR2PARP1PARP2GAA
SCHEMBL9980030 0.88 CXCR2 (0.51) P2RX7CXCR2PARP1PARP2
SCHEMBL9979999 0.85 SMN1; SMN2 (0.40) P2RX7PARP1PARP2GAARAB9A
SCHEMBL9980001 0.83 CXCR2 (0.40) P2RX7CXCR2
SCHEMBL9980063 0.83 CXCR2 (0.40) P2RX7CXCR2
SCHEMBL9980062 0.78 P2RX7 (0.47) P2RX7CXCR2PARP1PARP2
SCHEMBL9980043 0.77 CXCR2 (0.42) CXCR2CACNA1H
SCHEMBL9980029 0.76 CXCR2 (0.50) CXCR2
SCHEMBL9980067 0.73 CACNA1H (0.46) CACNA1H
SCHEMBL9980054 0.73 CXCR2 (0.56) CXCR2CACNA1H

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 P2RX7 135/4885CXCR2 1/4885PARP1 1759/4885

“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.