SCHEMBL18796376

SCHEMBL18796376

CN[C@@H](CC(=O)c1ccccc1N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 8/20 0.45
HSD17B10 Q99714 5/20 0.45
CFTR P13569 1/20 0.45
KDM4E B2RXH2 7/20 0.44
HIF1A Q16665 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 4/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL19273911 1.00 GAA (0.46) GAAMAPTALDH1A1HSD17B10CFTR
SCHEMBL15628062 0.88 ALDH1A1 (0.45) GAAMAPTALDH1A1HSD17B10CFTR
SCHEMBL5388881 0.86 MAPT (0.43) GAAMAPTALDH1A1HSD17B10CFTR
SCHEMBL288333 0.86 MAPT (0.43) GAAMAPTALDH1A1HSD17B10CFTR
SCHEMBL3156486 0.85 ALDH1A1 (0.46) GAAMAPTALDH1A1HSD17B10CFTR
SCHEMBL14645210 0.85 ALDH1A1 (0.46) GAAMAPTALDH1A1HSD17B10CFTR
SCHEMBL25662409 0.85 MAPT (0.44) GAAMAPTALDH1A1HSD17B10CFTR
SCHEMBL31520049 0.85 ALDH1A1 (0.46) GAAMAPTALDH1A1HSD17B10CFTR
SCHEMBL4351788 0.85 ALDH1A1 (0.50) GAAMAPTALDH1A1HSD17B10CFTR
SCHEMBL4996617 0.84 MAPT (0.42) GAAMAPTALDH1A1HSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667674-B2 Antibacterial cyclic lipopeptides VERSITECH LIMITED (CN) 2023-06-06 US disclosed
US-11320438-B2 Isotopic methods for measurement of tryptophan and metabolites thereof ELECTROPHORETICS LIMITED (GB) 2022-05-03 US disclosed
CN-108351360-B Isotopic method for measuring tryptophan and metabolites thereof 电泳有限公司 2022-03-04 CN disclosed
EP-3495354-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF Shandong Luye Pharmaceutical Co., Ltd. (CN) 2019-06-12 EP disclosed
US-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2019-06-06 US disclosed
EP-3368905-A1 ISOTOPIC METHODS FOR MEASUREMENT OF TRYPTOPHAN AND METABOLITES THEREOF Electrophoretics Limited (GB) 2018-09-05 EP disclosed
US-20180246118-A1 ISOTOPIC METHODS FOR MEASUREMENT OF TRYPTOPHAN AND METABOLITES THEREOF ELECTROPHORETICS LIMITED (GB) 2018-08-30 US disclosed
WO-2017173932-A1 ANTIBACTERIAL CYCLIC LIPOPEPTIDES VERSITECH LIMITED (CN) 2017-10-12 WO disclosed
WO-2017072368-A1 ISOTOPIC METHODS FOR MEASUREMENT OF TRYPTOPHAN AND METABOLITES THEREOF ELECTROPHORETICS LIMITED (GB) 2017-05-04 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 (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-11667674-B2 Antibacterial cyclic lipopeptides PTMS, NRDC, LNPEP GAA 1031/4885MAPT 4782/4885ALDH1A1 4793/4885
US-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF IDO1, IDO2, INMT GAA 381/4885MAPT 2353/4885ALDH1A1 304/4885

“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.