SCHEMBL5968413

SCHEMBL5968413

NOC(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.66
ALPI P09923 1/20 0.66
PKM P14618 1/20 0.66
PTGS1 P23219 1/20 0.66
XIAP P98170 1/20 0.66
SLC15A1 P46059 2/20 0.56
SRR Q9GZT4 2/20 0.55
LTA4H P09960 1/20 0.53
SLC1A3 P43003 2/20 0.51
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
HDAC8 Q9BY41 2/20 0.50
TYR P14679 1/20 0.49
CYP1A2 P05177 1/20 0.48
EPHX1 P07099 1/20 0.48
CTSC P53634 1/20 0.47
ANPEP P15144 1/20 0.47
LAP3 P28838 1/20 0.47

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
SCHEMBL27632375 1.00 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL299389 1.00 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL27297692 0.98 ALPI (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28660345 0.98 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Carbamic Acid SCHEMBL27955343 0.96 ALPI (0.61) SLC7A5ALPIPKMPTGS1XIAP
Nitrous Acid SCHEMBL28206840 0.93 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28820471 0.90 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8835936 0.90 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL288607 0.90 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29160724 0.89 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101671716-A Method for manufacturing D-phenylalanine by bio-enzyme asymmetric transformation HUAIBEI SINOGEL AMINO ACID CO 2010-03-17 CN disclosed
US-20060100154-A1 Long-acting gonadotropin-releasing hormone analogs and methods of use thereof YEDA RESEARCH AND DEVELOPMENT CO (US) 2006-05-11 US disclosed
CN-1543931-A Method for preparing brain targeting liposome pharmaceutical 西安力邦医药科技有限责任公司 2004-11-10 CN disclosed
WO-2004030687-A1 LONG-ACTING GONADOTROPIN-RELEASING HORMONE ANALOGS AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-04-15 WO disclosed
EP-0888299-A1 SULPHUR DERIVATIVES WITH A RETROAMIDE BOND AS ENDOTHELIN-CONVERTING ENZYME INHIBITORS HOECHST MARION ROUSSEL (FR) 1999-01-07 EP disclosed
WO-1997032849-A1 SULPHUR DERIVATIVES WITH A RETROAMIDE BOND AS ENDOTHELIN-CONVERTING ENZYME INHIBITORS HOECHST MARION ROUSSEL (FR) 1997-09-12 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-20060100154-A1 Long-acting gonadotropin-releasing hormone analogs and methods of use thereof GNRHR, FSHR, GHRHR SLC7A5 3541/4885ALPI 1074/4885PKM 4700/4885

“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.