SCHEMBL4065028

SCHEMBL4065028

CCSCCNC(=O)C(CCC(C)(F)C(N)=O)C[C@@H](O)[CH]Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.36
METAP1 P53582 1/20 0.36
CCR1 P32246 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33
VNN1 O95497 1/20 0.32

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
SCHEMBL4070206 1.00 METAP2 (0.36) METAP2METAP1CCR1SMN1; SMN2LMNA
SCHEMBL4066973 0.86 HPGD (0.35) CCR1LMNAALDH1A1HPGDKDM4E
SCHEMBL6675011 0.86 CCR1 (0.43) CCR1LMNAALDH1A1
SCHEMBL4071319 0.84 ESRRG (0.41) CCR1MAPT
SCHEMBL4060470 0.84 PLAAT3 (0.41)
SCHEMBL6169667 0.84 CCR1 (0.43) METAP2METAP1CCR1KDM4EMAPT
SCHEMBL6832277 0.84 CCR1 (0.41) CCR1
SCHEMBL4064274 0.84 CCR1 (0.41) CCR1
SCHEMBL4064042 0.84 CCR1 (0.43) METAP2METAP1CCR1KDM4EMAPT
SCHEMBL4067483 0.83 RAB9A (0.40) CCR1SMN1; SMN2ALDH1A1

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 METAP2 3568/4885METAP1 2724/4885CCR1 21/4885

“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.