SCHEMBL21558601

SCHEMBL21558601

CC(C)[S+]([O-])c1ccc(Br)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.44
CYP2A6 P11509 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TYR P14679 1/20 0.34
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PIM3 Q86V86 2/20 0.31
PIM1 P11309 1/20 0.30

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
SCHEMBL4869984 0.75 LMNA (0.44) ERN1TYRALDH1A1
SCHEMBL1670597 0.69 ERN1 (0.52) ERN1CYP2A6PTGDR2TYRPTPN1
SCHEMBL18794537 0.68 ERN1 (0.50) ERN1CYP2A6PTGDR2TYRPTPN1
SCHEMBL3040456 0.67 ERN1 (0.64) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL144351 0.66 ERN1 (0.57) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL31401340 0.66 ERN1 (0.57) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL137546 0.66 ERN1 (0.57) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL15264345 0.66 ERN1 (0.47) ERN1CYP2A6PTGDR2TYRPTPN1
SCHEMBL21558279 0.66 ERN1 (0.47) ERN1CYP2A6PTGDR2TYRPTPN1
SCHEMBL177142 0.66 ALDH1A1 (0.52) ERN1CYP2A6PTGDR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567028-B1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST MEDSHINE DISCOVERY INC (CN) 2022-01-05 EP disclosed
US-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist MEDSHINE DISCOVERY, INC. (CN) 2021-10-26 US disclosed
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist MEDSHINE DISCOVERY, INC. (CN) 2020-07-16 US disclosed
EP-3567028-A1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST Medshine Discovery Inc. (CN) 2019-11-13 EP 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 (2 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-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist CCR2, CCR5, CCRL2 ERN1 4488/4885CYP2A6 308/4885PTGDR2 366/4885
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist CCR2, CCR5, CCRL2 ERN1 4488/4885CYP2A6 308/4885PTGDR2 366/4885

“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.