SCHEMBL10077580

SCHEMBL10077580

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.59
ENPEP Q07075 1/20 0.59
ALDH1A1 P00352 3/20 0.47
FOLH1 Q04609 4/20 0.45
DPP4 P27487 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
TPH1 P17752 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
RARB P10826 2/20 0.42
SLC7A5 Q01650 1/20 0.42
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL2779813 0.84 ALDH1A1 (0.47) ANPEPENPEPALDH1A1CA12CA1
SCHEMBL1053349 0.84 KMT2A (0.52) ANPEPENPEPALDH1A1TSHRTPH1
SCHEMBL10282665 0.84 KMT2A (0.52) ANPEPENPEPALDH1A1TSHRTPH1
SCHEMBL14669312 0.81 CES2 (0.41) ANPEPENPEPDPP4TPH1SLC7A5
SCHEMBL9367897 0.80 SLC7A5 (0.53) ALDH1A1TPH1SLC7A5
SCHEMBL29098741 0.80 ANPEP (0.67) ANPEPENPEPALDH1A1FOLH1DPP4
SCHEMBL8952285 0.80 PRSS1 (0.50) ALDH1A1
SCHEMBL7450129 0.80 PRSS1 (0.50) ALDH1A1
SCHEMBL7140360 0.80 PRSS1 (0.50) ALDH1A1
SCHEMBL14640313 0.80 ANPEP (0.63) ANPEPENPEPFOLH1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052121-B1 WNT COMPOSITIONS AND METHODS FOR PURIFICATION UNIV LELAND STANFORD JUNIOR (US) 2023-02-22 EP disclosed
US-20170281720-A1 PEPTIDOMIMETIC MACROCYCLES HOFFMANN-LA ROCHE, INC. 2017-10-05 US disclosed
WO-2017044633-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 AILERON THERAPEUTICS, INC. (US) 2017-03-16 WO disclosed
WO-2013123266-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-22 WO disclosed
WO-2012173846-A2 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-12-20 WO disclosed
WO-2012021875-A1 PEPTIDOMIMETIC MACROCYCLES WITH TRIAZOLE LINKERS AILERON THERAPEUTICS, INC. (US) 2012-02-16 WO disclosed
WO-2012021874-A1 PEPTIDOMIMETIC MACROCYCLES WITH THIOETHER LINKERS AILERON THERAPEUTICS, INC. (US) 2012-02-16 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-20170281720-A1 PEPTIDOMIMETIC MACROCYCLES TP53, MDM2, MDM4 ANPEP 319/4885ENPEP 872/4885ALDH1A1 4570/4885

“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.