SCHEMBL971548

SCHEMBL971548

C=CCN[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ ITGB2 P05107 3/20 0.51
▸ ICAM1 P05362 3/20 0.51
▸ ITGAL P20701 3/20 0.51
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ GGT1 P19440 1/20 0.49
▸ SLC6A5 Q9Y345 1/20 0.48
▸ SLC15A2 Q16348 1/20 0.46
▸ CPB2 Q96IY4 1/20 0.46
▸ CAPN1 P07384 1/20 0.45
▸ GABRA1 P14867 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ GABRR1 P24046 1/20 0.44
▸ GABRR2 P28476 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
SCHEMBL11321618 0.87 CYP3A4 (0.54) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL1666697 0.81 ALDH1A1 (0.58) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL24106906 0.81 ITGB2 (0.57) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL4536009 0.81 ITGB2 (0.57) CYP3A4SLC7A5ITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL28591529 0.80 ITGB2 (0.56) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL3378643 0.79 CYP3A4 (0.61) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL29160709 0.78 CYP3A4 (0.50) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL28035475 0.78 CYP3A4 (0.56) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL10883608 0.78 ITGB2 (0.52) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL163397 0.78 ITGB2 (0.60) CYP3A4SLC7A5ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151890-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2024-07-18 — — WO disclosed
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
CN-118055943-A Cyclic peptide antibiotics 基因泰克公司 2024-05-17 — — CN 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
WO-2024074813-A1 A COMPOUND AND ITS USE FOR DETECTING A DISEASE IN THE EXHALED BREATH OF A SUBJECT OWLSTONE MEDICAL LIMITED (GB) 2024-04-11 — — WO disclosed
EP-4347618-A1 CYCLIC PEPTIDE ANTIBIOTICS Genentech, Inc. (US) 2024-04-10 — — EP disclosed
CN-116888138-A Radiopharmaceutical conjugate compositions and uses thereof 瑞择生物公司 2023-10-13 — — CN 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
WO-2022256380-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2022-12-08 — — WO disclosed
WO-2015057699-A2 PEGYLATED DRUG-LINKERS FOR IMPROVED LIGAND-DRUG CONJUGATE PHARMACOKINETICS SEATTLE GENETICS, INC. (US) 2015-04-23 — — WO disclosed
EP-2842575-A1 Auristatin drug linker conjugates Seattle Genetics, Inc. (US) 2015-03-04 — — EP disclosed
EP-2265283-B1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS INC (US) 2014-09-03 — — EP disclosed
WO-2014093379-A1 AURISTATIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. (US) 2014-06-19 — — WO 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
EP-2265283-A1 AURISTATIN DRUG LINKER CONJUGATES Seattle Genetics, Inc. (US) 2010-12-29 — — EP disclosed
WO-2009117531-A1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS, INC. (US) 2009-09-24 — — WO disclosed
US-4880781-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1989-11-14 — — 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 (4 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-20240207418-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PAICS, DHFR, CD44 CYP3A4 954/4885SLC7A5 378/4885ITGB2 610/4885
US-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB CYP3A4 1947/4885SLC7A5 377/4885ITGB2 1921/4885
US-20140050746-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB CYP3A4 1947/4885SLC7A5 377/4885ITGB2 1921/4885
US-20240207429-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PAICS, DHFR, CD44 CYP3A4 954/4885SLC7A5 378/4885ITGB2 610/4885

“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.

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