SCHEMBL44082

SCHEMBL44082

C[C@H](Nc1cc2ccccc2s1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 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
SCHEMBL731453 1.00 BCL2L1 (0.47) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL44083 1.00 BCL2L1 (0.47) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29412001 1.00 BCL2L1 (0.47) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22150086 0.87 POLB (0.40) BCL2L1LMNAGAA
SCHEMBL28905933 0.86 ALOX5 (0.49) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30566711 0.86 ALOX5 (0.49) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4954902 0.85 TAS1R3 (0.50) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL27587691 0.85 TAS1R3 (0.50) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5263311 0.80 CYP2A6 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22342498 0.79 MAPT (0.46) CA12CA2CA14LMNA

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 1929 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358948-B2 Neurotensinergic agonists and methods of using same preventing or treating pain SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2025-07-15 US claimed
US-20250208137-A1 COMPOUNDS FOR THE DETECTION AND INHIBITION OF COAGULATION PROTEASES CAMBRIDGE ENTERPRISE LIMITED (GB) 2025-06-26 US claimed
US-12329799-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2025-06-17 US claimed
EP-4493273-A1 COMPOUNDS FOR THE DETECTION AND INHIBITION OF COAGULATION PROTEASES Politechnika Wroclawska (PL) 2025-01-22 EP claimed
US-20240158445-A1 CYCLIC CELL-PENETRATING PEPTIDES WITH THREE OR MORE HYDROPHOBIC RESIDUES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-05-16 US claimed
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 US claimed
EP-4294820-A1 CYCLIC CELL-PENETRATING PEPTIDES WITH THREE OR MORE HYDROPHOBIC RESIDUES Ohio State Innovation Foundation (US) 2023-12-27 EP claimed
US-20230381327-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-11-30 US claimed
WO-2023175356-A1 COMPOUNDS FOR THE DETECTION AND INHIBITION OF COAGULATION PROTEASES POLITECHNIKA WROCLAWSKA (PL) 2023-09-21 WO claimed
CN-116635408-A Reactive conjugates 德彪药业国际股份公司 2023-08-22 CN claimed
US-20020039749-A1 High-throughput screening assays for modulators of STAT4 and STAT6 activity AMGEN INC. 2002-04-04 US claimed
US-6207391-B1 INCUBATING A REACTION MIXTURE COMPRISING A STAT6 POLYPEPTIDE, A POTENTIAL BINDING MODULATOR, AND A RECEPTOR PEPTIDE WHICH COMPRISES A SPECIFIC AMINO ACID SEQUENCE TULARIK INC. 2001-03-27 US claimed
WO-1999050283-A1 HIGH THROUGHPUT SCREENING ASSAYS FOR MODULATORS OF STAT4 AND STAT6 ACTIVITY TULARIK INC. (US) 1999-10-07 WO claimed
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP claimed
EP-0833654-A1 PEPTIDES AND COMPOUNDS THAT BIND TO THE IL-1 RECEPTOR Affymax Technologies N.V. (GB) 1998-04-08 EP claimed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP claimed
WO-1996039165-A1 PEPTIDES AND COMPOUNDS THAT BIND TO THE IL-1 RECEPTOR AFFYMAX TECHNOLOGIES N.V. (GB) 1996-12-12 WO claimed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP claimed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP claimed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20250208137-A1 COMPOUNDS FOR THE DETECTION AND INHIBITION OF COAGULATION PROTEASES F11, F2, F12 BCL2L1 3504/4885HDAC3 924/4885HDAC4 736/4885
US-12358948-B2 Neurotensinergic agonists and methods of using same preventing or treating pain VIP, NTSR2, VIPR2 BCL2L1 1772/4885HDAC3 1707/4885HDAC4 3180/4885
US-12329799-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 BCL2L1 1495/4885HDAC3 1668/4885HDAC4 871/4885
US-20240158445-A1 CYCLIC CELL-PENETRATING PEPTIDES WITH THREE OR MORE HYDROPHOBIC RESIDUES SLC3A2, SLC7A1, ARGLU1 BCL2L1 1537/4885HDAC3 4287/4885HDAC4 4181/4885
US-20230381327-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A BCL2L1 3387/4885HDAC3 908/4885HDAC4 2471/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 BCL2L1 1495/4885HDAC3 1668/4885HDAC4 871/4885

“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.