SCHEMBL4065184

SCHEMBL4065184

NC(=O)NC(=O)[C@H](CC1CCCCC1)C[C@@H](O)[CH]CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
METAP2 P50579 5/20 0.36
METAP1 P53582 2/20 0.36
CTSD P07339 2/20 0.34
LTA4H P09960 1/20 0.34
REN P00797 1/20 0.34
EPHX1 P07099 1/20 0.32
TSHR P16473 1/20 0.31
CPB2 Q96IY4 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL4061716 0.84 GRIK1 (0.31)
SCHEMBL4069086 0.80 CTSD (0.42) ALDH1A1KMT2AMETAP2METAP1CTSD
SCHEMBL4071619 0.77
SCHEMBL4073024 0.73 EPHX1 (0.36) ALDH1A1KMT2ARENEPHX1
SCHEMBL4067961 0.72 ALDH1A1 (0.34) ALDH1A1KMT2AMETAP2CTSDREN
SCHEMBL6265799 0.66 ALOX5 (0.39) KMT2AEPHX1TSHRMMP1MMP2
SCHEMBL7072830 0.63 ALOX5 (0.37) KMT2AEPHX1TSHRMMP1MMP2
SCHEMBL4065186 0.63 REN (0.55) ALDH1A1KMT2AMETAP2METAP1LTA4H
SCHEMBL3617416 0.62 TDP1 (0.44) KMT2AEPHX1TSHRMMP1MMP2
SCHEMBL13155423 0.62 LTA4H (0.47) ALDH1A1KMT2AMETAP2LTA4H

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 ALDH1A1 169/4885KMT2A 2539/4885METAP2 3568/4885

“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.