SCHEMBL1650235

SCHEMBL1650235

C=CCN(CC(=O)OCC)C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1.CS(=O)(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 5/20 1.00
PRSS1 P07477 16/20 1.00
KLK1 P06870 5/20 1.00
TMPRSS15 P98073 11/20 0.44
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
FTO Q9C0B1 1/20 0.38

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
SCHEMBL7311244 0.96 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3245051 0.96 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15KDM4E
Acetic Acid SCHEMBL7312877 0.94 PRSS1 (0.96) PRSS1F2KLK1TMPRSS15KDM4E
Acetic Acid SCHEMBL7311943 0.94 PRSS1 (0.96) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL7189654 0.91 PRSS1 (0.88) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL7189652 0.91 PRSS1 (0.88) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL7309075 0.91 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15FTO
SCHEMBL5574445 0.91 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15FTO
SCHEMBL5569896 0.91 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15FTO
SCHEMBL7309079 0.90 PRSS1 (0.81) PRSS1F2KLK1TMPRSS15FTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2025-06-05 US disclosed
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation TUFTS MEDICAL CENTER (US) 2024-08-13 US disclosed
US-20240074995-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2024-03-07 US disclosed
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2023-10-24 US disclosed
US-11744812-B2 Methods of treatment FIRST WAVE BIO, INC. (US) 2023-09-05 US disclosed
US-20230201143-A1 METHODS OF TREATMENT FIRST WAVE BIO, INC. 2023-06-29 US disclosed
US-20230102999-A1 DEUTERATED NICLOSAMIDE FIRST WAVE BIO, INC. 2023-03-30 US disclosed
US-11564896-B2 Methods of treatment FIRST WAVE BIO, INC. (US) 2023-01-31 US disclosed
EP-4045480-A1 PHARMACEUTICAL FORMULATIONS First Wave Bio, Inc. (US) 2022-08-24 EP disclosed
US-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2022-05-05 US disclosed
US-20220105057-A1 METHODS OF TREATMENT FIRST WAVE BIO, INC. 2022-04-07 US disclosed
US-20220079897-A1 METHODS OF TREATMENT FIRST WAVE BIO, INC. 2022-03-17 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 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-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG F2 835/4885PRSS1 1843/4885KLK1 920/4885
US-20240074995-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 F2 3308/4885PRSS1 2043/4885KLK1 2550/4885
US-20220079897-A1 METHODS OF TREATMENT ACE2, ACE, SI F2 1666/4885PRSS1 847/4885KLK1 2919/4885
US-11744812-B2 Methods of treatment ACE2, ACE, SI F2 1666/4885PRSS1 847/4885KLK1 2919/4885
US-20230201143-A1 METHODS OF TREATMENT ACE2, ACE, SI F2 1596/4885PRSS1 800/4885KLK1 2351/4885
US-11564896-B2 Methods of treatment ACE2, ACE, SI F2 1596/4885PRSS1 800/4885KLK1 2351/4885
US-20220105057-A1 METHODS OF TREATMENT ACE2, ACE, SI F2 1596/4885PRSS1 800/4885KLK1 2351/4885
US-20230102999-A1 DEUTERATED NICLOSAMIDE FH, IDH2, ECHS1 F2 4030/4885PRSS1 1953/4885KLK1 4137/4885
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG F2 835/4885PRSS1 1843/4885KLK1 920/4885
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 F2 3121/4885PRSS1 1955/4885KLK1 2448/4885
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation LIPG, CD40, LDLR F2 1454/4885PRSS1 1763/4885KLK1 744/4885

“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.