SCHEMBL11298546

SCHEMBL11298546

Nc1cc(C[C@H](N)C(=O)O)ccc1CS

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 7/20 0.55
PTGS1 P23219 2/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
EGFR P00533 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ALOX15 P16050 1/20 0.55
HTR2A P28223 1/20 0.55
PTGS2 P35354 1/20 0.55
RECQL P46063 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PKM P14618 2/20 0.50
ALPI P09923 1/20 0.50
XIAP P98170 1/20 0.50
GRIA2 P42262 1/20 0.46
NOS3 P29474 2/20 0.44

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
SCHEMBL11298542 1.00 SLC7A5 (0.55) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL16587782 0.87 SLC7A5 (0.58) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL30705337 0.82 SLC7A5 (0.64) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL3730019 0.82 SLC7A5 (0.64) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL16070908 0.82 SLC7A5 (0.64) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL180009 0.79 SLC7A5 (0.75) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL29405664 0.79 SLC7A5 (0.75) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL180010 0.79 SLC7A5 (0.75) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL16826246 0.79 SLC7A5 (0.75) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL29622702 0.79 SLC7A5 (0.75) SLC7A5PTGS1KDM4EUSP2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665744-B1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIV ROCHESTER (US) 2015-04-08 EP claimed
US-8986953-B2 Macrocyclic compounds with a hybrid peptidic/non-peptidic backbone and methods for their preparation UNIVERSITY OF ROCHESTER (US) 2015-03-24 US claimed
US-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION NATIONAL SCIENCE FOUNDATION 2013-12-12 US claimed
EP-2665744-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2013-11-27 EP claimed
WO-2012100176-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2012-07-26 WO claimed
EP-2665744-B1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIV ROCHESTER (US) 2015-04-08 EP disclosed
US-8986953-B2 Macrocyclic compounds with a hybrid peptidic/non-peptidic backbone and methods for their preparation UNIVERSITY OF ROCHESTER (US) 2015-03-24 US disclosed
US-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION NATIONAL SCIENCE FOUNDATION 2013-12-12 US disclosed
EP-2665744-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2013-11-27 EP disclosed
WO-2012100176-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2012-07-26 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-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION MICA, VIP, NPEPPS SLC7A5 964/4885PTGS1 3813/4885KDM4E 4356/4885

“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.