SCHEMBL971816

SCHEMBL971816

C=CCNC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.63
ACE P12821 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
FPR2 P25090 1/20 0.57
ITGB2 P05107 3/20 0.57
ICAM1 P05362 3/20 0.57
ITGAL P20701 3/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
APAF1 O14727 1/20 0.56
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
MPO P05164 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56

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
SCHEMBL971817 1.00 ALOX15 (0.63) ALOX15ACESMN1; SMN2FPR2ITGB2
SCHEMBL28306101 0.87 KMT2A (0.60) ALOX15SMN1; SMN2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL28306100 0.86 KMT2A (0.59) ALOX15SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5370785 0.85 ALOX15 (0.67) ALOX15ACESMN1; SMN2FPR2ITGB2
SCHEMBL7524473 0.85 ALOX15 (0.61) ALOX15ACESMN1; SMN2FPR2ITGB2
SCHEMBL25181018 0.85 ALOX15 (0.67) ALOX15ACESMN1; SMN2FPR2ITGB2
SCHEMBL27847748 0.85 ALOX15 (0.64) ALOX15ACESMN1; SMN2FPR2ITGB2
SCHEMBL9115508 0.84 ALOX15 (0.65) ALOX15ACESMN1; SMN2FPR2ITGB2
SCHEMBL22654181 0.84 ALOX15 (0.65) ALOX15ACESMN1; SMN2FPR2ITGB2
SCHEMBL29773000 0.84 ALOX15 (0.65) ALOX15ACESMN1; SMN2FPR2ITGB2

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 44 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
US-20240156969-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEAGEN INC (US) 2024-05-16 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
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
WO-2023222681-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS WITH IMPROVED RENAL CLEARANCE Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2023-11-23 WO disclosed
WO-2023222680-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2023-11-23 WO disclosed
US-11793880-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2023-10-24 US disclosed
CN-116888138-A Radiopharmaceutical conjugate compositions and uses thereof 瑞择生物公司 2023-10-13 CN 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-20140024606-A1 PEPTIDOMIMETICS COMPRISING N-AMINO CYCLIC UREA RESIDUES AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2014-01-23 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
EP-0863916-A1 POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 EP disclosed
WO-1997012904-A1 POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-04-10 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 (7 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 ALOX15 2856/4885ACE 3388/4885SMN1; SMN2 4013/4885
US-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB ALOX15 4676/4885ACE 3858/4885SMN1; SMN2 3344/4885
US-20140024606-A1 PEPTIDOMIMETICS COMPRISING N-AMINO CYCLIC UREA RESIDUES AND USES THEREOF IL1R1, CMKLR1, FPR1 ALOX15 486/4885ACE 3783/4885SMN1; SMN2 1634/4885
US-20140050746-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB ALOX15 4676/4885ACE 3858/4885SMN1; SMN2 3344/4885
US-20240156969-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 ALOX15 3995/4885ACE 1790/4885SMN1; SMN2 3157/4885
US-20240207429-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PAICS, DHFR, CD44 ALOX15 2856/4885ACE 3388/4885SMN1; SMN2 4013/4885
US-11793880-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 ALOX15 3995/4885ACE 1790/4885SMN1; SMN2 3157/4885

“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.