SCHEMBL4968627

SCHEMBL4968627

CC(C)C(Br)C(=O)Nc1ccc(Cl)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.54
GAA P10253 1/20 0.47
HTT P42858 2/20 0.43
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
F12 P00748 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIK1 P39086 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ERBB2 P04626 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL4968141 0.88 KCNMA1 (0.53) GAAHTTRAB9AKDM4EMEN1
SCHEMBL4972469 0.83 KMT2A (0.58) CXCR2GAAHTTRAB9AALDH1A1
SCHEMBL27142231 0.83 CXCR2 (0.54) CXCR2GAAHTTRAB9AALDH1A1
SCHEMBL27126721 0.83 CXCR2 (0.54) CXCR2GAAHTTRAB9AALDH1A1
SCHEMBL10359128 0.82 GAA (0.47) GAAHTTRAB9AMEN1KMT2A
SCHEMBL10358536 0.79 HTT (0.62) GAAHTTRAB9AALDH1A1MEN1
SCHEMBL17026913 0.78 KMT2A (0.50) GAAHTTALDH1A1MEN1KMT2A
SCHEMBL4970182 0.78 HPGD (0.56) GAAHTTRAB9AKDM4EMEN1
SCHEMBL4972112 0.77 KMT2A (0.57) CXCR2GAAHTTRAB9AALDH1A1
SCHEMBL4969948 0.76 CXCR2 (0.45) CXCR2HTTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 CXCR2 1605/4885GAA 783/4885HTT 772/4885

“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.