SCHEMBL4800520

SCHEMBL4800520

Cc1cc(C[C@@H](N)C(=O)O)cc(Cl)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.47
THRA P10827 3/20 0.46
THRB P10828 3/20 0.46
GRIA2 P42262 1/20 0.46
PTGS1 P23219 2/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
XIAP P98170 1/20 0.46
SIRT5 Q9NXA8 1/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 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
SCHEMBL4800531 1.00 SLC7A5 (0.47) SLC7A5THRATHRBGRIA2PTGS1
SCHEMBL14780576 0.89 SLC7A5 (0.53) SLC7A5GRIA2PTGS1ALPIPKM
SCHEMBL3523029 0.84 SIRT5 (0.51) SLC7A5THRATHRBGRIA2PTGS1
SCHEMBL26378959 0.84 SIRT5 (0.51) SLC7A5THRATHRBGRIA2PTGS1
SCHEMBL3523032 0.84 SIRT5 (0.51) SLC7A5THRATHRBGRIA2PTGS1
SCHEMBL5234664 0.84 CPB2 (0.40) SLC7A5THRATHRBTDP1KDM4E
SCHEMBL4800632 0.81 LMNA (0.45) THRBALOX15KDM4EPTGS2RECQL
SCHEMBL4800648 0.81 LMNA (0.45) THRBALOX15KDM4EPTGS2RECQL
SCHEMBL4800217 0.81 SIRT5 (0.55) THRATHRBGRIA2SIRT5ALOX15
SCHEMBL4800230 0.81 SIRT5 (0.55) THRATHRBGRIA2SIRT5ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-22 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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SLC7A5 1371/4885THRA 342/4885THRB 344/4885
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SLC7A5 1371/4885THRA 342/4885THRB 344/4885

“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.