SCHEMBL4492055

SCHEMBL4492055

CC(=O)NC(C(=O)O)C(C)c1cc(C)c(O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HSP90AA1 P07900 2/20 0.33
ALOX12 P18054 2/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
THRA P10827 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
SCHEMBL4490749 0.77 AKR1C2 (0.38) GAAALOX15HSD17B10ALDH1A1HTT
SCHEMBL2522738 0.71 MME (0.44) ALDH1A1CYP1A2CA1CA2MME
SCHEMBL2329884 0.71 MME (0.51) GAAHSD17B10SMN1; SMN2MMELMNA
SCHEMBL2331132 0.71 MME (0.51) GAAHSD17B10SMN1; SMN2MMELMNA
SCHEMBL16883538 0.69 HSD17B10 (0.48) GAAALOX15HSD17B10ALDH1A1HTT
SCHEMBL3517991 0.69 LMNA (0.46) ALOX15ALDH1A1L3MBTL1SMN1; SMN2THRB
SCHEMBL3517987 0.69 LMNA (0.46) ALOX15ALDH1A1L3MBTL1SMN1; SMN2THRB
SCHEMBL30343444 0.68 HSD17B10 (0.70) GAAALOX15HSD17B10ALDH1A1HTT
SCHEMBL1597487 0.68 HSD17B10 (0.70) GAAALOX15HSD17B10ALDH1A1HTT
SCHEMBL2520019 0.67 ACACB (0.43) ALDH1A1SMN1; SMN2CYP1A2MME

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 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-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA GAA 3521/4885ALOX15 3029/4885HSD17B10 3976/4885

“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.