Sugi Predict

Sugi Predict / Compounds / SCHEMBL4073007

SCHEMBL4073007

SCHEMBL4073007

NC(Cc1ccc(OC(F)(F)F)cc1)C(O)CC(C(=O)NO)C1CCC(F)(F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.46
▸ KCNH2 Q12809 2/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ UGCG Q16739 1/20 0.38
▸ REN P00797 2/20 0.37
▸ ACACB O00763 1/20 0.37
▸ DPP4 P27487 2/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ GRIK1 P39086 1/20 0.36
▸ GRIK2 Q13002 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ MMP8 P22894 2/20 0.34
▸ MMP14 P50281 2/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP3 P08254 1/20 0.34

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
SCHEMBL4059062 0.89 CCR1 (0.45) CCR1KCNH2SCN5ASCN9ACYP3A4
SCHEMBL4072923 0.86 CCR1 (0.50) CCR1RENDPP4DPP7
SCHEMBL3837106 0.85 CCR1 (0.60) CCR1RENMMP1MMP3
SCHEMBL4071311 0.83 CCR1 (0.45) CCR1SCN9AEPHX2
SCHEMBL4072995 0.82 CCR1 (0.40) CCR1KCNH2SCN5ASCN9ACYP3A4
SCHEMBL4069333 0.80 CCR1 (0.47) CCR1RENDPP4DPP7HTR2C
SCHEMBL4064301 0.80 CCR1 (0.46) CCR1DPP4EPHX1
SCHEMBL4068389 0.80 CCR1 (0.46) CCR1DPP4
SCHEMBL4248292 0.79 EPHX1 (0.50) CCR1SCN9ADPP4EPHX1
SCHEMBL4063940 0.78 REN (0.38) SCN9ACYP3A4UGCGRENACACB

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 21/4885KCNH2 3386/4885SCN5A 2883/4885

“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.