Sugi Predict

Sugi Predict / Compounds / SCHEMBL4058726

SCHEMBL4058726

SCHEMBL4058726

CONC(=O)[C@H](CCC(C)(C)F)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 8/20 0.50
▸ REN P00797 4/20 0.43
▸ LAP3 P28838 3/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ RNPEP Q9H4A4 1/20 0.41
▸ DNPEP Q9ULA0 1/20 0.41
▸ CSNK1E P49674 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ APP P05067 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ CTRB1 P17538 1/20 0.37

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
SCHEMBL6169670 0.89 CCR1 (0.61) CCR1RENLAP3ANPEPRNPEP
SCHEMBL4064045 0.89 CCR1 (0.61) CCR1RENLAP3ANPEPRNPEP
SCHEMBL4064275 0.89 CCR1 (0.58) CCR1RENLAP3ANPEPRNPEP
SCHEMBL6832278 0.89 CCR1 (0.58) CCR1RENLAP3ANPEPRNPEP
SCHEMBL4066974 0.88 CCR1 (0.49) CCR1RENLAP3ANPEPRNPEP
SCHEMBL6675017 0.87 CCR1 (0.61) CCR1RENLAP3ANPEPRNPEP
Hydroxyamine SCHEMBL6688642 0.87 CCR1 (0.57) CCR1RENLAP3ANPEPRNPEP
SCHEMBL7591156 0.87 CCR1 (0.61) CCR1RENLAP3ANPEPRNPEP
SCHEMBL6167499 0.85 CCR1 (0.57) CCR1RENLAP3ANPEPRNPEP
SCHEMBL4071980 0.84 CCR1 (0.54) CCR1RENLTA4H

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-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 — — EP disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 — — US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 — — US disclosed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 — — EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 — — 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CCR1 21/4885REN 1314/4885LAP3 3585/4885

“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.