SCHEMBL4072970

SCHEMBL4072970

NC(=O)C1CCC(O)(C(CC(O)[CH]Cc2cccc(C(F)(F)F)c2)C(=O)NO)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
EPHX1 P07099 6/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
VCP P55072 1/20 0.36
PTGER4 P35408 3/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
TBXA2R P21731 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTR1E P28566 1/20 0.35
S1PR3 Q99500 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL4063102 0.88 ANPEP (0.38) MAOAMAOBVCPPTGER4PTGER3
SCHEMBL7590168 0.87 TSHR (0.36) ALDH1A1
SCHEMBL2675965 0.87 TSHR (0.36) ALDH1A1
SCHEMBL4064238 0.82 ANPEP (0.34) VCPPTGER4PTGER3PTGER2TBXA2R
SCHEMBL4063933 0.81 EPHX1 (0.36) EPHX1
SCHEMBL4073406 0.80 VCP (0.35) ALDH1A1VCPPTGER4PTGER3PTGER2
SCHEMBL4069604 0.79 SLC1A3 (0.33) VCP
SCHEMBL4062024 0.78 EPHX1 (0.44) EPHX1PTGER4PTGER2FFAR4
SCHEMBL4069582 0.77 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL4065712 0.77 SMN1; SMN2 (0.37) ALDH1A1LMNA

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 SMYD3 3081/4885KDM1A 844/4885MAOA 4017/4885

“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.