SCHEMBL2426327

SCHEMBL2426327

Nc1ccc(Oc2ccc(F)cc2)cc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.66
BRAF P15056 4/20 0.55
HDAC1 Q13547 4/20 0.55
GCK P35557 2/20 0.52
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GFER P55789 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
MCL1 Q07820 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GLA P06280 1/20 0.47

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
SCHEMBL1554060 0.91 KMT2A (0.59) KEAP1BRAFHDAC1GCKKMT2A
SCHEMBL712251 0.89 KDM4E (0.61) KEAP1BRAFHDAC1GCKKMT2A
SCHEMBL30507896 0.89 KEAP1 (0.59) KEAP1BRAFHDAC1GCKKMT2A
SCHEMBL1027446 0.86 KMT2A (0.61) KEAP1BRAFHDAC1GCKKMT2A
SCHEMBL5078313 0.86 POLB (0.57) KEAP1BRAFHDAC1GCKKMT2A
SCHEMBL710634 0.86 KMT2A (0.63) KEAP1BRAFHDAC1GCKKMT2A
SCHEMBL12789530 0.85 BRAF (0.61) KEAP1BRAFHDAC1GCKMAPT
SCHEMBL524088 0.84 POLB (0.63) KEAP1BRAFHDAC1KMT2APOLB
SCHEMBL10583194 0.83 BRAF (0.56) KEAP1BRAFHDAC1KMT2AKDM4E
SCHEMBL8967249 0.83 KEAP1 (0.56) KEAP1BRAFHDAC1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297117-B1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME (US) 2012-10-31 EP disclosed
WO-2011117254-A1 PIPERIDINE AMIDES AS MODULATORS OF THE GHRELIN RECEPTOR PROSIDION LIMITED (GB) 2011-09-29 WO disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 US disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 US disclosed
WO-2009143049-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS SCHERING CORPORATION (US) 2009-11-26 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 KEAP1 1460/4885BRAF 4467/4885HDAC1 612/4885

“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.