SCHEMBL4067800

SCHEMBL4067800

CC(F)(CC[C@H](C[C@@H](O)[CH]Cc1ccccc1)C(=O)NCc1cccnc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
USP2 O75604 1/20 0.42
RECQL P46063 1/20 0.42
CCR1 P32246 1/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
SORT1 Q99523 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4068096 0.91 CYP3A4 (0.40) KMT2APKMCYP3A4SMN1; SMN2
SCHEMBL4067999 0.91 ALDH1A1 (0.46) CCR1LMNAALDH1A1MAPTSORT1
SCHEMBL6675011 0.91 CCR1 (0.43) KMT2ACCR1LMNAALDH1A1CYP3A4
SCHEMBL4067750 0.86 TSHR (0.48) KMT2ACCR1LMNAHTTALDH1A1
SCHEMBL4069920 0.85 CCR1 (0.37) KMT2APKMRECQLCCR1LMNA
SCHEMBL4067483 0.84 RAB9A (0.40) CCR1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL4071975 0.84 NPC1 (0.41) KMT2ACCR1ALDH1A1MAPTCYP1A2
SCHEMBL4062732 0.83 POLB (0.39) KMT2APKMUSP2HTTALDH1A1
SCHEMBL6169667 0.83 CCR1 (0.43) CCR1MAPT
SCHEMBL4064042 0.83 CCR1 (0.43) CCR1MAPT

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 3 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

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 KMT2A 2539/4885PKM 3459/4885USP2 1000/4885

“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.