SCHEMBL5594968

SCHEMBL5594968

Nc1ccc(Cl)c(Cl)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP3A4 P08684 7/20 0.46
MAPK1 P28482 4/20 0.46
TSHR P16473 10/20 0.43
HSD17B10 Q99714 5/20 0.43
HPGD P15428 4/20 0.43
CASP1 P29466 2/20 0.43
THRB P10828 2/20 0.40
ESR2 Q92731 1/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.35

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
SCHEMBL29927582 0.81 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL26096976 0.81 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL26096966 0.79 ALOX15 (0.46) CA1CA2CA12CA7CA9
SCHEMBL4651562 0.79 CA1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL31506484 0.77 CYP3A4 (0.55) CA1CA2CA12CA7CA9
SCHEMBL581831 0.77 CYP3A4 (0.55) CA1CA2CA12CA7CA9
SCHEMBL31122322 0.75 CA1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL3789515 0.75 ALDH1A1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL38652542 0.75 ALDH1A1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL27210176 0.75 ALDH1A1 (0.33) CA1CA2CA12CA7CA9

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
EP-3507275-A1 CXCR3 RECEPTOR AGONISTS Celgene International II Sarl (CH) 2019-07-10 EP disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 WO disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 WO disclosed
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
EP-0915651-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-19 EP disclosed
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
WO-1997049286-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 WO disclosed
EP-0347283-B1 PROCESS FOR THE PREPARATION OF 2,6-DICHLORO-4-AMINOPHENOL RHONE-POULENC CHIMIE (FR) 1992-03-04 EP disclosed
EP-0347283-A1 Process for the preparation of 2,6-dichloro-4-aminophenol RHONE-POULENC CHIMIE (FR) 1989-12-20 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-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 CA1 4037/4885CA2 3314/4885CA12 3844/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 CA1 4037/4885CA2 3314/4885CA12 3844/4885

“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.