SCHEMBL2779813

SCHEMBL2779813

N[C@H](C=O)Cc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CAPN1 P07384 1/20 0.47
SRD5A2 P31213 2/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
VNN1 O95497 1/20 0.43
MDM2 Q00987 1/20 0.43
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42

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
SCHEMBL10077580 0.84 ANPEP (0.59) ALDH1A1SLC7A5ANPEPENPEPCA12
SCHEMBL9367897 0.83 SLC7A5 (0.53) ALDH1A1MAPTALPIPKMPTGS1
SCHEMBL2639450 0.82 EPHX1 (0.56) MEN1KMT2AALPIPKMPTGS1
SCHEMBL623688 0.82 EPHX1 (0.56) MEN1KMT2AALPIPKMPTGS1
SCHEMBL6486058 0.82 EPHX1 (0.56) MEN1KMT2AALPIPKMPTGS1
SCHEMBL7327748 0.82 EPHX1 (0.56) MEN1KMT2AALPIPKMPTGS1
SCHEMBL309963 0.82 EPHX1 (0.56) MEN1KMT2AALPIPKMPTGS1
SCHEMBL24311844 0.80 SRR (0.50) LMNAALPIPKMPTGS1XIAP
SCHEMBL13962960 0.80 SRR (0.50) LMNAALPIPKMPTGS1XIAP
SCHEMBL18647219 0.80 SRR (0.50) LMNAALPIPKMPTGS1XIAP

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
WO-2017044633-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 AILERON THERAPEUTICS, INC. (US) 2017-03-16 WO disclosed
US-20100112089-A1 PEPTIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-06 US disclosed
WO-2009139497-A1 CBP501 -DERIVED AGENTS AND METHODS BASED THEREON FOR INHIBITING G2 CELL CYCLE ARREST AND SENSITIZING CELLS TO DNA DAMAGING AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 WO disclosed
US-20060030518-A1 Acylated insulin SCIAPS, INC. 2006-02-09 US disclosed
US-6869930-B1 Acylated insulin NOVO NORDISK A/S (DK) 2005-03-22 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 (2 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-20060030518-A1 Acylated insulin INSR, BCAT1, SLC1A5 ALDH1A1 3689/4885CAPN1 1966/4885SRD5A2 2178/4885
US-20100112089-A1 PEPTIDE COMPOUND AND USE THEREOF HDAC10, NGLY1, VIP ALDH1A1 3911/4885CAPN1 185/4885SRD5A2 4468/4885

“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.