Sugi Predict

Sugi Predict / Compounds / SCHEMBL4071975

SCHEMBL4071975

SCHEMBL4071975

COc1ccc(CNC(=O)[C@H](CCC(C)(F)C(N)=O)C[C@@H](O)[CH]Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ CASR P41180 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CTSD P07339 1/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL6675011 0.93 CCR1 (0.43) KMT2AALDH1A1RAB9ACCR1HDAC3
SCHEMBL4068538 0.91 KDM4E (0.45) KMT2AALDH1A1RAB9ACTSD
SCHEMBL4059782 0.90 CTSD (0.46) ALDH1A1GAARAB9ATSHRCTSD
SCHEMBL4067999 0.88 ALDH1A1 (0.46) ALDH1A1GAACCR1MAPT
SCHEMBL4064283 0.87 TSHR (0.47) NPC1KMT2AALDH1A1GAARAB9A
SCHEMBL4066973 0.85 HPGD (0.35) ALDH1A1CCR1
SCHEMBL4066447 0.85 MEN1 (0.39) NPC1KMT2AALDH1A1RAB9ACYP2D6
SCHEMBL4058724 0.85 CCR1 (0.35) TSHRCCR1MAPT
SCHEMBL4067800 0.84 KMT2A (0.47) KMT2AALDH1A1GAATSHRCCR1
SCHEMBL4069024 0.84 CTSD (0.43) NPC1KMT2AALDH1A1RAB9ATSHR

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 NPC1 3846/4885KMT2A 2539/4885ALDH1A1 169/4885

“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.