Sugi Predict

Sugi Predict / Compounds / SCHEMBL4070735

SCHEMBL4070735

SCHEMBL4070735

CC(F)(CCC(CC(O)[CH]Cc1ccc(OC(F)(F)F)cc1)C(=O)NO)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ ACE P12821 1/20 0.36
▸ EPHX2 P34913 3/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ GRIK1 P39086 1/20 0.35
▸ GRIK2 Q13002 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ TEAD1 P28347 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ ACACB O00763 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ ADAM17 P78536 1/20 0.32

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
SCHEMBL4064796 0.90 EPHX1 (0.44) EPHX1VNN1ACEEPHX2NR1H4
SCHEMBL4061961 0.88 CYP2D6 (0.40) MMP1MMP9
SCHEMBL6832277 0.87 CCR1 (0.41) HDAC1
SCHEMBL4066245 0.83 VNN1 (0.40) VNN1EPHX2HDAC1PPARG
SCHEMBL4070040 0.81 ANPEP (0.39) VNN1MMP1
SCHEMBL4060626 0.80 MMP3 (0.38) VNN1MMP1MMP2MMP9
SCHEMBL4058724 0.79 CCR1 (0.35) MMP1MMP2
SCHEMBL4071975 0.79 NPC1 (0.41) HDAC1
SCHEMBL4064042 0.79 CCR1 (0.43) VNN1MMP1MMP2
SCHEMBL4068795 0.79 EPHX1 (0.41) EPHX1VNN1PPARGPPARA

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 805/4885VNN1 3540/4885ACE 2963/4885

“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.