SCHEMBL1748947

SCHEMBL1748947

CC(C)(C)OC(=O)NC(Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.59
ITGB3 P05106 2/20 0.56
ITGA2B P08514 2/20 0.56
CTSL P07711 1/20 0.54
PTPN1 P18031 1/20 0.53
PPARA Q07869 6/20 0.53
PPARG P37231 5/20 0.53
FPR2 P25090 1/20 0.52
CTSS P25774 6/20 0.51
CTSK P43235 6/20 0.51
CTSB P07858 2/20 0.51
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGB5 P18084 1/20 0.49
CA2 P00918 2/20 0.49
PPARD Q03181 2/20 0.49

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
SCHEMBL1311165 1.00 ACE (0.59) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL1529592 1.00 ACE (0.59) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL15109826 0.90 CA2 (0.61) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL7850273 0.90 CA2 (0.61) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL6898394 0.90 CA2 (0.61) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL9957484 0.89 PTPN1 (0.58) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL16095718 0.89 PTPN1 (0.58) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL2265571 0.89 PTPN1 (0.58) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL6276560 0.89 ACE (0.56) ACEITGB3ITGA2BCTSLPTPN1
SCHEMBL5893305 0.89 ACE (0.56) ACEITGB3ITGA2BCTSLPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2024-05-30 US disclosed
US-20240057599-A1 METHODS FOR IMPROVING FRUIT QUALITY THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2024-02-22 US disclosed
EP-4288412-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 EP disclosed
US-11812746-B2 Method of controlling fungal infections in plants THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2023-11-14 US disclosed
WO-2022167866-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed
US-20200383327-A1 METHOD OF IMPROVING PLANT PERFORMANCE THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2020-12-10 US disclosed
US-20190246639-A1 METHOD OF CONTROLLING FUNGAL INFECTIONS IN PLANTS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCHORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2019-08-15 US disclosed
US-7968548-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders including specifically treatment of obesity and related conditions PALATIN TECHNOLOGIES, INC. (US) 2011-06-28 US disclosed
US-20110014226-A1 HIGH THROUGHPUT PROTEIN INTERACTION ASSAY MERCK SHARP & DOHME CORP. 2011-01-20 US disclosed
US-7855292-B2 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2008-06-05 US disclosed
EP-1922072-A2 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS Palatin Technologies, Inc. (US) 2008-05-21 EP disclosed
US-20080070921-A1 Diamine-Containing, Tetra-Substituted Piperazine Compounds Having Identical 1- and 4-Substituents PALATIN TECHNOLOGIES, INC. (US) 2008-03-20 US disclosed
WO-2008017852-A1 DIAMINE-CONTAINING, TETRA- SUBSTITUTED PIPERAZINE COMPOUNDS AS MELANOCORTIN RECEPTOR MODULATORS PALATIN TECHNOLOGIES, INC. (US) 2008-02-14 WO disclosed
US-7297816-B2 Sulfonamide compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-20 US disclosed
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 EP disclosed
WO-2007021990-A2 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS PALATIN TECHNOLOGIES, INC. (US) 2007-02-22 WO disclosed
US-20060287331-A1 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS PALATIN TECHNOLOGIES, INC. (US) 2006-12-21 US disclosed
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 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 (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-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics CCKAR, CCKBR, GRPR ACE 3431/4885ITGB3 4395/4885ITGA2B 3727/4885
US-20110014226-A1 HIGH THROUGHPUT PROTEIN INTERACTION ASSAY SSB, AIP, LY96 ACE 2422/4885ITGB3 4274/4885ITGA2B 4105/4885
US-20080070921-A1 Diamine-Containing, Tetra-Substituted Piperazine Compounds Having Identical 1- and 4-Substituents NPY1R, MC5R, MC4R ACE 3623/4885ITGB3 4255/4885ITGA2B 2812/4885
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME PPM1A, PPP2CA, PPP3CA ACE 3310/4885ITGB3 4335/4885ITGA2B 3630/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 ACE 3146/4885ITGB3 4856/4885ITGA2B 4329/4885
US-20060287331-A1 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS MC4R, MC1R, MC5R ACE 3994/4885ITGB3 1892/4885ITGA2B 1107/4885

“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.