SCHEMBL9979957

SCHEMBL9979957

O=C(Nc1cccc(C(=O)N2CCC3(CCNC3=O)CC2)c1O)Nc1cccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.48
CXCR2 P25025 13/20 0.46
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CX3CR1 P49238 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SPR P35270 1/20 0.40

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
SCHEMBL9980036 0.91 CXCR2 (0.52) CXCR2
SCHEMBL9979929 0.85 SPR (0.40) CXCR2ALDH1A1LMNAMEN1KMT2A
SCHEMBL9979940 0.83 LMNA (0.41) CXCR2KDM4ELMNAMEN1KMT2A
SCHEMBL30515699 0.78 CXCR2 (0.47) CXCR2SPR
SCHEMBL9980065 0.78 CXCR2 (0.47) CXCR2SPR
SCHEMBL9979928 0.76 SPR (0.46) SPR
SCHEMBL9979995 0.72 SPR (0.44) ALDH1A1KMT2ASPR
SCHEMBL9980083 0.70 MAPK14 (0.48) MAPK14CXCR2KDM4EALDH1A1LMNA
SCHEMBL30515712 0.70 CACNA1H (0.49) MAPK14CXCR2KDM4EALDH1A1LMNA
SCHEMBL9979996 0.70 CACNA1H (0.49) MAPK14CXCR2KDM4EALDH1A1LMNA

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 3 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-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 MAPK14 1277/4885CXCR2 1/4885KDM4E 3440/4885

“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.