Sugi Predict

Sugi Predict / Compounds / SCHEMBL4058790

SCHEMBL4058790

SCHEMBL4058790

CC1CC(O)(C(CC(O)C(N)Cc2ccccc2OC(F)(F)F)C(N)=O)CC(C)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.34
▸ SLC6A4 P31645 5/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ LNPEP Q9UIQ6 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ VNN1 O95497 1/20 0.33
▸ SCN9A Q15858 2/20 0.32
▸ PPARG P37231 2/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ IDH1 O75874 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
SCHEMBL4058787 0.79 SLC6A2 (0.34) SLC6A2SLC6A4HCRTR1HCRTR2BRD4
SCHEMBL4058965 0.77 HTR2A (0.42) —
SCHEMBL4063937 0.77 SLC6A2 (0.36) SLC6A2SLC6A4LNPEPBRD4CREBBP
SCHEMBL4061461 0.73 EPHX1 (0.38) VNN1SCN9AROCK2EPHX2
SCHEMBL4059574 0.69 EPHX1 (0.39) SLC6A4CYP3A4PPARGEPHX2
SCHEMBL4061956 0.69 CCR1 (0.41) LNPEP
SCHEMBL4062026 0.69 EPHX1 (0.46) HCRTR1HCRTR2SCN9A
SCHEMBL4071311 0.67 CCR1 (0.45) SLC6A2SLC6A4VNN1SCN9AEPHX2
SCHEMBL4062212 0.67 CCR1 (0.45) —
SCHEMBL4066248 0.66 CCR1 (0.45) SLC6A2SLC6A4CYP2D6KCNH2LNPEP

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 SLC6A2 4660/4885SLC6A4 3845/4885CYP2D6 419/4885

“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.