SCHEMBL4066447

SCHEMBL4066447

COc1cc(CCNC(=O)[C@H](CCC(C)(F)C(N)=O)C[C@@H](O)[CH]Cc2ccccc2)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PLAAT3 P53816 3/20 0.36
PLAAT5 Q96KN8 3/20 0.36
PLAAT2 Q9NWW9 3/20 0.36
PLAAT4 Q9UL19 3/20 0.36
POLB P06746 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 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
SCHEMBL4071628 0.90 PLAAT3 (0.46) MEN1KMT2AALDH1A1MAPTALOX12
SCHEMBL4058791 0.88 CAPN1 (0.42) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL4068538 0.87 KDM4E (0.45) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL4066973 0.87 HPGD (0.35) ALDH1A1CYP3A4CA1CA2CA7
SCHEMBL4071319 0.86 ESRRG (0.41) MAPTPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4060470 0.86 PLAAT3 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4067483 0.85 RAB9A (0.40) ALDH1A1CYP3A4NPC1RAB9A
SCHEMBL4071975 0.85 NPC1 (0.41) KMT2AALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL4073009 0.84 ACHE (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4068096 0.84 CYP3A4 (0.40) MEN1KMT2ACYP3A4NPC1RAB9A

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 MEN1 4545/4885KMT2A 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.