SCHEMBL4063933

SCHEMBL4063933

NC(=O)C1CCC(O)(C(CC(O)[CH]Cc2ccc(OC(F)(F)F)cc2)C(=O)NO)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.36
MCHR1 Q99705 1/20 0.36
HTR2C P28335 2/20 0.35
TEAD1 P28347 1/20 0.34
ACE P12821 1/20 0.34
MMP1 P03956 2/20 0.33
MMP13 P45452 2/20 0.33
MMP14 P50281 2/20 0.33
CYP3A4 P08684 1/20 0.33
UGCG Q16739 1/20 0.33
SCN9A Q15858 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
VNN1 O95497 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
SCHEMBL4059569 0.91 EPHX1 (0.40) EPHX1MCHR1HTR2CTEAD1SCN9A
SCHEMBL4064238 0.87 ANPEP (0.34)
SCHEMBL7590168 0.86 TSHR (0.36) MMP8
SCHEMBL2675965 0.86 TSHR (0.36) MMP8
SCHEMBL4063927 0.84 SLC6A2 (0.36) CYP3A4SCN9AVNN1
SCHEMBL4072970 0.81 SMYD3 (0.39) EPHX1
SCHEMBL4062024 0.80 EPHX1 (0.44) EPHX1SCN9ACHRM4VNN1
SCHEMBL4063102 0.80 ANPEP (0.38)
SCHEMBL4069604 0.80 SLC1A3 (0.33)
SCHEMBL4073406 0.79 VCP (0.35)

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 EPHX1 805/4885MCHR1 1009/4885HTR2C 2185/4885

“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.