Sugi Predict

Sugi Predict / Compounds / SCHEMBL7581428

SCHEMBL7581428

SCHEMBL7581428

NC(=O)[C@@H](CC(O)[C@@H](N)Cc1ccccc1)C1(O)CCC(F)(F)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.57
▸ SLC15A1 P46059 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ LAP3 P28838 4/20 0.38
▸ ANPEP P15144 2/20 0.38
▸ EPHX1 P07099 2/20 0.38
▸ RNPEP Q9H4A4 1/20 0.38
▸ DNPEP Q9ULA0 1/20 0.38
▸ REN P00797 2/20 0.37
▸ ALPI P09923 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ XIAP P98170 1/20 0.37
▸ SLC7A5 Q01650 1/20 0.37
▸ SLC1A3 P43003 2/20 0.36
▸ SLC1A2 P43004 2/20 0.36
▸ SLC1A1 P43005 2/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 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
SCHEMBL4069510 1.00 CCR1 (0.57) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL4063723 0.89 CCR1 (0.54) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL4061000 0.88 CCR1 (0.48) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL7581508 0.88 CCR1 (0.56) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL4065574 0.88 CCR1 (0.56) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL4059666 0.88 CCR1 (0.56) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL6836076 0.88 CCR1 (0.56) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL2675868 0.87 CCR1 (0.48) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL2675827 0.87 CCR1 (0.48) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL4071838 0.85 CCR1 (0.45) CCR1SLC15A1CSNK1ELAP3ANPEP

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
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 21/4885SLC15A1 2584/4885CSNK1E 3498/4885

“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.