Sugi Predict

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SCHEMBL4060244

SCHEMBL4060244

NC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.49
▸ FPR2 P25090 1/20 0.45
▸ REN P00797 1/20 0.45
▸ PTPN1 P18031 1/20 0.43
▸ LTA4H P09960 2/20 0.43
▸ LAP3 P28838 1/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIK1 P39086 1/20 0.40
▸ GRIK2 Q13002 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ CTSD P07339 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ SERPINE1 P05121 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
SCHEMBL4062972 0.85 SLC1A3 (0.53) EPHX1LAP3CCR1SLC1A3SLC1A2
SCHEMBL4071555 0.84 LTA4H (0.49) EPHX1RENLTA4HLAP3PPARG
SCHEMBL4064800 0.83 CCR1 (0.44) EPHX1RENPTPN1EPHX2PPARG
SCHEMBL4068169 0.83 SLC1A3 (0.46) EPHX1RENLTA4HLAP3PPARG
SCHEMBL4066979 0.83 SLC1A3 (0.46) EPHX1RENLTA4HLAP3PPARG
SCHEMBL4063823 0.81 ERAP2 (0.48) EPHX1RENLTA4HLAP3CCR1
SCHEMBL4064868 0.77 SLC1A1 (0.50) PPARGPPARACCR1SLC1A3SLC1A2
SCHEMBL4071381 0.77 TAAR1 (0.50) LTA4HPPARACTSD
SCHEMBL4067774 0.76 SPPL2A (0.47) FPR2PPARGPPARACCR1SLC1A3
SCHEMBL6167499 0.76 CCR1 (0.57) RENLAP3CCR1

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 EPHX1 805/4885FPR2 143/4885REN 1314/4885

“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.