Sugi Predict

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SCHEMBL4066969

SCHEMBL4066969

CC(C)(O)CC[C@H](C[C@H](O)[C@@H](N)Cc1cccs1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 5/20 0.43
▸ CTSC P53634 5/20 0.41
▸ CHRM2 P08172 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ PGGT1B P53609 1/20 0.33

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
SCHEMBL4069074 0.90 CCR1 (0.43) CCR1CTSCCHRM2CCR5CYP2C19
SCHEMBL2677001 0.85 RAB9A (0.43) CCR1CTSCCYP2C19RAB9APOLB
SCHEMBL2675073 0.81 CCR1 (0.57) CCR1CHRM2CCR5SLC1A3SLC1A2
SCHEMBL7688715 0.80 CCR1 (0.37) CCR1CTSCCHRM2CCR5CYP2C19
SCHEMBL4066476 0.78 CCR1 (0.45) CCR1CTSCCYP2C19RAB9AFNTA
SCHEMBL4378739 0.78 POLB (0.47) CCR1CYP2C19POLBCYP2D6CYP2C9
SCHEMBL4064572 0.78 CCR1 (0.42) CCR1CHRM2CCR5
SCHEMBL2676711 0.77 CCR1 (0.47) CCR1CHRM2CCR5TSHR
SCHEMBL2676322 0.77 CCR1 (0.60) CCR1CHRM2CCR5
SCHEMBL2676715 0.76 CCR1 (0.47) CCR1CHRM2CCR5

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-20030018033-A1 Novel dihydroxyhexanoic acid derivatives KATH JOHN CHARLES (US) 2003-01-23 — — 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-20030018033-A1 Novel dihydroxyhexanoic acid derivatives HCAR1, HCAR2, SLC27A1 CCR1 180/4885CTSC 890/4885CHRM2 3772/4885

“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.