SCHEMBL970354

SCHEMBL970354

C=CCN[C@H](C(=O)O)C(C)(C)S

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
PTGS1 P23219 1/20 0.36
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28235238 1.00 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1TSHRSMN1; SMN2
SCHEMBL21403573 0.78 ALDH1A1 (0.43) ALDH1A1MAPTPTGS1SMN1; SMN2
SCHEMBL8769242 0.76 ALDH1A1 (0.41) ALDH1A1MAPTPTGS1
SCHEMBL504480 0.70 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1TSHRSMN1; SMN2
SCHEMBL14935873 0.70 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1TSHRSMN1; SMN2
SCHEMBL31196416 0.70 ALOX15 (0.38) ALDH1A1MAPTPTGS1SMN1; SMN2
SCHEMBL3109035 0.70 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1
SCHEMBL253527 0.70
SCHEMBL725364 0.70
SCHEMBL905194 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207429-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-06-27 US disclosed
US-20240207418-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. 2024-06-27 US disclosed
EP-4366777-A2 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2024-05-15 EP disclosed
US-11793880-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2023-10-24 US disclosed
WO-2023280227-A2 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2023-01-12 WO disclosed
US-20220226482-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEAGEN INC (US) 2022-07-21 US disclosed
US-11229708-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2022-01-25 US disclosed
US-10226535-B2 Auristatin compounds and conjugates thereof MERSANA THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
EP-2928503-B1 CONJUGATES OF AURISTATIN COMPOUNDS MERSANA THERAPEUTICS INC (US) 2019-02-20 EP disclosed
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEATTLE GENETICS, INC. (US) 2019-01-17 US disclosed
US-20160310612-A1 PEGYLATED DRUG-LINKERS FOR IMPROVED LIGAND-DRUG CONJUGATE PHARMACOKINETICS SEATTLE GENETICS, INC. (US) 2016-10-27 US disclosed
US-9463252-B2 Auristatin drug linker conjugates SEATTLE GENETICS, INC. (US) 2016-10-11 US disclosed
CN-105764503-A PEGylated drug-linkers for improved pharmacokinetics of ligand-drug conjugates 西雅图基因公司 2016-07-13 CN disclosed
US-20150314008-A1 AURISTATIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2015-11-05 US disclosed
US-20140050746-A1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS, INC. (US) 2014-02-20 US disclosed
US-8609105-B2 Auristatin drug linker conjugates SEATTLE GENETICS, INC. (US) 2013-12-17 US disclosed
US-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS, INC. (US) 2011-01-27 US disclosed
US-5849690-A Anti-aggregatory peptides SMITHKLINE BEECHAM CORPORATION (US) 1998-12-15 US disclosed
US-5643872-A ANTIAGGLOMERANTS FOR PLATELETS, ANTICOAGULANTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 US disclosed
US-5470849-A Anticoagulants SMITHKLINE BEECHAM CORP. (US) 1995-11-28 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 (11 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-10226535-B2 Auristatin compounds and conjugates thereof PBRM1, AURKB, ILK ALDH1A1 2684/4885MAPT 1644/4885PTGS1 3594/4885
US-20240207418-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PAICS, DHFR, CD44 ALDH1A1 820/4885MAPT 457/4885PTGS1 4504/4885
US-20220226482-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 ALDH1A1 4270/4885MAPT 2747/4885PTGS1 4004/4885
US-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB ALDH1A1 1466/4885MAPT 686/4885PTGS1 4661/4885
US-20140050746-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB ALDH1A1 1466/4885MAPT 686/4885PTGS1 4661/4885
US-11229708-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 ALDH1A1 4270/4885MAPT 2747/4885PTGS1 4004/4885
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 ALDH1A1 4270/4885MAPT 2747/4885PTGS1 4004/4885
US-20240207429-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PAICS, DHFR, CD44 ALDH1A1 820/4885MAPT 457/4885PTGS1 4504/4885
US-20150314008-A1 AURISTATIN COMPOUNDS AND CONJUGATES THEREOF PBRM1, BRWD1, BRDT ALDH1A1 2233/4885MAPT 2861/4885PTGS1 3377/4885
US-20160310612-A1 PEGYLATED DRUG-LINKERS FOR IMPROVED LIGAND-DRUG CONJUGATE PHARMACOKINETICS EGFR, HDGF, CD47 ALDH1A1 1001/4885MAPT 2341/4885PTGS1 1098/4885
US-11793880-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 ALDH1A1 4270/4885MAPT 2747/4885PTGS1 4004/4885

“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.