SCHEMBL4069086

SCHEMBL4069086

NC(=O)NC(=O)[C@H](CC1CCCCC1)C[C@@H](O)[CH]Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.42
METAP2 P50579 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CPB2 Q96IY4 1/20 0.38
METAP1 P53582 2/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MMP1 P03956 3/20 0.36
MMP2 P08253 3/20 0.36
MMP3 P08254 3/20 0.36
CTSS P25774 1/20 0.36
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL4065184 0.80 ALDH1A1 (0.42) CTSDMETAP2CPB2METAP1ALDH1A1
SCHEMBL4069087 0.69 METAP2 (0.45) CTSDMETAP2NPC1RAB9ASMN1; SMN2
SCHEMBL4065205 0.68 FFAR2 (0.37) POLBMMP1MMP2MMP3KMT2A
SCHEMBL4061716 0.68 GRIK1 (0.31)
SCHEMBL7682167 0.67 MMP1 (0.41) ALDH1A1MMP1MMP2MMP3
SCHEMBL4071619 0.66
SCHEMBL2646813 0.65 SLC6A3 (0.48) METAP2METAP1
SCHEMBL2648622 0.65 SLC6A3 (0.48) METAP2METAP1
SCHEMBL7351333 0.65 METAP2 (0.69) CTSDMETAP2NPC1RAB9ACPB2
Hydrochloric Acid SCHEMBL7353291 0.65 METAP2 (0.67) CTSDMETAP2NPC1RAB9ACPB2

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 CTSD 3667/4885METAP2 3568/4885NPC1 3846/4885

“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.