SCHEMBL4068538

SCHEMBL4068538

COc1cccc(CNC(=O)[C@H](CCC(C)(F)C(N)=O)C[C@@H](O)[CH]Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.43
CTSD P07339 4/20 0.43
ATM Q13315 1/20 0.42
APEX1 P27695 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP13 P45452 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARA Q07869 1/20 0.40

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
SCHEMBL4071975 0.91 NPC1 (0.41) ALDH1A1RAB9ACTSDKMT2A
SCHEMBL4059782 0.90 CTSD (0.46) KDM4EALDH1A1RAB9ACTSDAPEX1
SCHEMBL6675011 0.89 CCR1 (0.43) ALDH1A1RAB9AKMT2A
SCHEMBL4066447 0.87 MEN1 (0.39) KDM4EALDH1A1RAB9AMEN1POLB
SCHEMBL4064283 0.85 TSHR (0.47) KDM4EALDH1A1HPGDRAB9AMEN1
SCHEMBL4069024 0.84 CTSD (0.43) KDM4EALDH1A1HPGDRAB9ACTSD
SCHEMBL4067999 0.84 ALDH1A1 (0.46) ALDH1A1POLBMMP13
SCHEMBL4066973 0.84 HPGD (0.35) KDM4EALDH1A1HPGD
SCHEMBL4058791 0.84 CAPN1 (0.42) RAB9ACTSDMEN1POLBKMT2A
SCHEMBL4058724 0.84 CCR1 (0.35) KDM4EMMP13

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 KDM4E 1634/4885USP2 1000/4885ALDH1A1 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.