Sugi Predict

Sugi Predict / Compounds / SCHEMBL4065205

SCHEMBL4065205

SCHEMBL4065205

CNC(=O)[C@H](CC(C)C(N)=O)C[C@@H](O)[CH]Cc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KLK7 P49862 3/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MMP3 P08254 1/20 0.32
▸ DPP4 P27487 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
SCHEMBL4058890 0.89 CCR1 (0.36) LMNAMMP2ACECA2MMP1
SCHEMBL4063347 0.88 CCR1 (0.37) KMT2APOLBHTTMMP2ACE
SCHEMBL7682167 0.88 MMP1 (0.41) FFAR2LMNACYP2C19MMP2CYP1A2
SCHEMBL4063155 0.88 SMN1; SMN2 (0.40) KMT2ALMNAMEN1
SCHEMBL4069707 0.86 MMP3 (0.42) MMP2MMP1MMP3
SCHEMBL4072378 0.79 PLK1 (0.38) KMT2ALMNACYP2C19MMP2CYP1A2
SCHEMBL4066674 0.76 MMP1 (0.32) MMP1MMP3
SCHEMBL7688310 0.76 CCR1 (0.46) POLBMMP2MMP1MMP3
SCHEMBL4065786 0.76 MMP3 (0.36) KMT2ALMNAPOLBHTTMMP3
SCHEMBL4071248 0.75 CYP3A4 (0.50) KMT2ACYP2C19CYP2C9CYP2D6ACE

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 FFAR2 8/4885KMT2A 2539/4885LMNA 4874/4885

“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.