SCHEMBL4073406

SCHEMBL4073406

NC(=O)C1CCC(O)(C(CC(O)[CH]Cc2ccccc2F)C(=O)NO)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
C3AR1 Q16581 1/20 0.32
KCNH2 Q12809 2/20 0.31
SCN3A Q9NY46 1/20 0.31
DPP4 P27487 4/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
METAP2 P50579 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7590168 0.88 TSHR (0.36) ALDH1A1TDP1KMT2A
SCHEMBL2675965 0.88 TSHR (0.36) ALDH1A1TDP1KMT2A
SCHEMBL4063927 0.86 SLC6A2 (0.36) SLC6A2
SCHEMBL4064238 0.85 ANPEP (0.34) VCPPTGER4PTGER3PTGER2KMT2A
SCHEMBL4063102 0.84 ANPEP (0.38) VCPPTGER4PTGER3PTGER2METAP2
SCHEMBL4059264 0.83 L3MBTL1 (0.35) SIRT1ALDH1A1KMT2A
SCHEMBL4069582 0.82 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL4072970 0.80 SMYD3 (0.39) VCPALDH1A1PTGER4PTGER3PTGER2
SCHEMBL4069604 0.80 SLC1A3 (0.33) VCP
SCHEMBL4063933 0.79 EPHX1 (0.36)

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 VCP 4514/4885SIRT2 3062/4885SIRT1 3492/4885

“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.