Sugi Predict

Sugi Predict / Compounds / SCHEMBL4064868

SCHEMBL4064868

SCHEMBL4064868

NC(=O)[C@H](Cc1cccc(F)c1)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 3/20 0.50
▸ CCR1 P32246 3/20 0.43
▸ PPARG P37231 3/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CCR5 P51681 1/20 0.43
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A2 P43004 1/20 0.43
▸ DPP4 P27487 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ SLC15A1 P46059 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CSNK1E P49674 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL8893128 0.91 SLC1A1 (0.54) SLC1A1PPARGPPARASLC1A3SLC1A2
SCHEMBL8893130 0.91 SLC1A1 (0.54) SLC1A1PPARGPPARASLC1A3SLC1A2
SCHEMBL4066979 0.88 SLC1A3 (0.46) SLC1A1CCR1PPARGPPARASLC1A3
SCHEMBL4068169 0.88 SLC1A3 (0.46) SLC1A1CCR1PPARGPPARASLC1A3
SCHEMBL4062972 0.88 SLC1A3 (0.53) SLC1A1CCR1SLC1A3SLC1A2FOLH1
SCHEMBL4063727 0.86 ANPEP (0.49) SLC1A1CCR1SLC1A3SLC1A2FOLH1
SCHEMBL4061972 0.85 ANPEP (0.46) SLC1A1CCR1PPARGPPARASLC1A3
SCHEMBL4070006 0.84 CCR1 (0.45) SLC1A1CCR1CHRM2CCR5DPP4
SCHEMBL4071381 0.82 TAAR1 (0.50) PPARACYP1A2
SCHEMBL4063823 0.82 ERAP2 (0.48) SLC1A1CCR1SLC1A3SLC1A2SLC15A1

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 SLC1A1 1741/4885CCR1 21/4885PPARG 451/4885

“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.