SCHEMBL180586

SCHEMBL180586

CSCC[C@H](N)C(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
SLC7A5 Q01650 4/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
PTGS1 P23219 3/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
XIAP P98170 1/20 0.46
TPH1 P17752 3/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
GRB2 P62993 1/20 0.42
HIF1A Q16665 5/20 0.41
ALOX15 P16050 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
USP2 O75604 1/20 0.41
EGFR P00533 1/20 0.41
LCK P06239 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
Aspartic Acid SCHEMBL27954511 0.94 PTPN1 (0.43) PTPN1SLC7A5ITGB3ITGA2BPTGS1
Aspartic Acid SCHEMBL2473894 0.94 PTPN1 (0.43) PTPN1SLC7A5ITGB3ITGA2BPTGS1
Aspartic Acid SCHEMBL28937732 0.94 PTPN1 (0.43) PTPN1SLC7A5ITGB3ITGA2BPTGS1
Leucine SCHEMBL1724133 0.93 PTPN1 (0.43) PTPN1SLC7A5ITGB3ITGA2BPTGS1
SCHEMBL3495948 0.87 ALPI (0.44) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7559199 0.87 ITGB3 (0.52) ITGB3ITGA2BFNTAFNTBPGGT1B
SCHEMBL7781980 0.83 ATM (0.43) TDP1
SCHEMBL7546444 0.83 ATM (0.43) TDP1
SCHEMBL10614969 0.83 FNTA (0.43) FNTAFNTBPGGT1BKMT2A
SCHEMBL6046921 0.82 SLC7A5 (0.51) PTPN1SLC7A5ITGB3ITGA2BPTGS1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200353088-A1 PEPTIDE CONJUGATE CGRP RECEPTOR ANTAGONISTS AND METHODS OF PREPARATION AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2020-11-12 US claimed
EP-3707157-A1 PEPTIDE CONJUGATE CGRP RECEPTOR ANTAGONISTS AND METHODS OF PREPARATION AND USES THEREOF Auckland Uniservices Limited (NZ) 2020-09-16 EP claimed
CN-111479823-A Peptide conjugate CGRP receptor antagonist and preparation method and application thereof 奥克兰联合服务有限公司 2020-07-31 CN claimed
US-7927864-B2 Methods, kits, and compositions for detecting enzyme activity WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2011-04-19 US claimed
US-20090148851-A1 Methods, kits, and compositions for detecting enzyme activity OWEN JOHN 2009-06-11 US claimed
US-7468258-B2 Self-quenching homofluorophore compositions for detecting enzyme activity WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2008-12-23 US claimed
US-20070212696-A1 Self-quenching homofluorophore compositions for detecting enzyme activity WAKE FOREST UNIVERSITY HEALTH SCIENCES 2007-09-13 US claimed
US-20200353088-A1 PEPTIDE CONJUGATE CGRP RECEPTOR ANTAGONISTS AND METHODS OF PREPARATION AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2020-11-12 US disclosed
EP-3707157-A1 PEPTIDE CONJUGATE CGRP RECEPTOR ANTAGONISTS AND METHODS OF PREPARATION AND USES THEREOF Auckland Uniservices Limited (NZ) 2020-09-16 EP disclosed
CN-111479823-A Peptide conjugate CGRP receptor antagonist and preparation method and application thereof 奥克兰联合服务有限公司 2020-07-31 CN disclosed
CN-103266133-B The construction method of stably express clinic lamivudine drug resistance hepatitis B virus cell strain 河南省医药科学研究院 2016-07-06 CN disclosed
US-8663912-B2 Fluorogenic substrate for ADAMTS13 WASHINGTON UNIVERSITY (US) 2014-03-04 US disclosed
US-20130023004-A1 FLUOROGENIC SUBSTRATE FOR ADAMTS13 WASHINGTON UNIVERSITY (US) 2013-01-24 US disclosed
US-20070212696-A1 Self-quenching homofluorophore compositions for detecting enzyme activity WAKE FOREST UNIVERSITY HEALTH SCIENCES 2007-09-13 US disclosed
CN-1599617-A Pharmaceutical composition having prophylactic effects on lamivudine-related disease relapse and drug resistance and methods of using the same WU TZU SHENG (CN) 2005-03-23 CN disclosed
WO-2005012573-A1 MICROARRAY COMPRISING PROBES FOR DRUG-RESISTANT HEPATITIS B VIRUS DETECTION, QUALITY CONTROL AND NEGATIVE CONTROL, AND METHOD FOR DETECTING DRUG-RESISTANT HEPATITIS B VIRUS USING THE SAME KIM CHEOL-MIN (KR) 2005-02-10 WO disclosed
EP-1144693-A3 DETECTION OF ANTI-HEPATITIS B DRUG RESISTANCE INNOGENETICS N.V. (BE) 2001-11-28 EP disclosed
WO-2001088175-A1 PROCESS FOR THE CONTINUOUS PRODUCTION OF DIPEPTIDE CRYSTALS IN A MEMBRANE AND HYDRO-CYCLONE REACTOR USING A PEPTIDASE INSTITUTO SUPERIOR TÉCNICO (PT) 2001-11-22 WO disclosed
EP-1144693-A2 DETECTION OF ANTI-HEPATITIS B DRUG RESISTANCE INNOGENETICS N.V. (BE) 2001-10-17 EP disclosed
WO-2001004358-A2 DETECTION OF ANTI-HEPATITIS B DRUG RESISTANCE INNOGENETICS N.V. (BE) 2001-01-18 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-20200353088-A1 PEPTIDE CONJUGATE CGRP RECEPTOR ANTAGONISTS AND METHODS OF PREPARATION AND USES THEREOF CALCRL, CALCR, GRPR PTPN1 4160/4885SLC7A5 1069/4885ITGB3 1507/4885
US-20130023004-A1 FLUOROGENIC SUBSTRATE FOR ADAMTS13 HM13, ADAMTS13, ADAMTS12 PTPN1 2173/4885SLC7A5 1460/4885ITGB3 4454/4885

“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.