SCHEMBL4072541

SCHEMBL4072541

CC(C)CCC(CC(O)C(N)Cc1cccc(OC(F)(F)F)c1)C(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSD P07339 7/20 0.43
REN P00797 2/20 0.41
VNN1 O95497 1/20 0.40
CETP P11597 1/20 0.40
KCNB1 Q14721 1/20 0.39
EPHX1 P07099 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
SCHEMBL4071586 0.81 REN (0.42) REN
SCHEMBL4068796 0.78 CCR1 (0.44) RENVNN1CETPEPHX1
SCHEMBL4070742 0.77 CCR1 (0.46) RENVNN1EPHX1
SCHEMBL4062864 0.76 CCR1 (0.44) REN
SCHEMBL4072870 0.76 MMP9 (0.44)
SCHEMBL4070042 0.75 CCR1 (0.48) REN
SCHEMBL4061461 0.75 EPHX1 (0.38) CTSDRENVNN1CETPEPHX1
SCHEMBL4072538 0.75 EPHX1 (0.41) CTSDVNN1CETPKCNB1EPHX1
SCHEMBL4063981 0.74 CCR1 (0.47) RENEPHX1
SCHEMBL4071139 0.74 HTR2A (0.52) RENEPHX1

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 CTSD 3667/4885REN 1314/4885VNN1 3540/4885

“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.