SCHEMBL4501888

SCHEMBL4501888

Cc1cc(C[C@@](C)(O)C(=O)O)cc2oc(=O)n(C)c12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
KMO O15229 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4509035 1.00 ACACB (0.41) ACACBKMOKDM4EALDH1A1HPGD
SCHEMBL3352484 0.77 ACACB (0.43) ACACBKMOKDM4EALDH1A1HPGD
SCHEMBL3351541 0.75 ACACB (0.47) ACACBKMOKDM4EALDH1A1HPGD
SCHEMBL3351533 0.75 ACACB (0.47) ACACBKMOKDM4EALDH1A1HPGD
SCHEMBL4497897 0.74 SYK (0.35) KDM4EALDH1A1
SCHEMBL4497895 0.74 SYK (0.35) KDM4EALDH1A1
SCHEMBL4064262 0.72 ALDH1A1 (0.44) ACACBKMOKDM4EALDH1A1HPGD
SCHEMBL1285687 0.70 ACACB (0.38) ACACBKMOKDM4EALDH1A1HPGD
SCHEMBL16435008 0.70 ACACB (0.43) ACACBKDM4EALDH1A1HPGDMEN1
SCHEMBL1285780 0.70 ALDH1A1 (0.41) ACACBKMOKDM4EALDH1A1HPGD

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 ACACB 4862/4885KMO 3018/4885KDM4E 4568/4885

“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.