SCHEMBL2631434

SCHEMBL2631434

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.59
ACE P12821 1/20 0.57
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
CTSS P25774 7/20 0.53
CTSK P43235 7/20 0.53
ALB P02768 1/20 0.51
IL2 P60568 1/20 0.51
CTSB P07858 2/20 0.49
PPARA Q07869 5/20 0.49
PPARG P37231 4/20 0.49
ITGB1 P05556 1/20 0.48
ITGAV P06756 1/20 0.48
ITGB5 P18084 1/20 0.48
PPARD Q03181 2/20 0.47

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
SCHEMBL2215510 1.00 PTPN1 (0.59) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL1429759 1.00 PTPN1 (0.59) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL29663847 1.00 PTPN1 (0.59) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL27139552 0.90 PTPN1 (0.59) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL27139554 0.90 PTPN1 (0.59) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL1516520 0.90 PTPN1 (0.61) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL2573377 0.90 PTPN1 (0.61) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL29398351 0.90 PTPN1 (0.61) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL29401347 0.90 PTPN1 (0.61) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL1516519 0.90 PTPN1 (0.61) PTPN1ACEITGB3ITGA2BCTSS

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
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20240067665-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS LLC (US) 2024-02-29 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
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
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
US-11578068-B2 Oxadiazole derivatives as Rho-Kinase Inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2023-02-14 US disclosed
US-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2022-05-17 US disclosed
CN-110248939-B Tyrosine amide derivatives as RHO-kinase inhibitors 奇斯药制品公司 2022-05-17 CN disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-7618981-B2 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INC. (US) 2009-11-17 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
US-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
US-6114310-A THERAPY FOR MICROBIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-09-05 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 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-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA PTPN1 477/4885ACE 1462/4885ITGB3 1724/4885
US-11578068-B2 Oxadiazole derivatives as Rho-Kinase Inhibitors ROCK1, ROCK2, RHOA PTPN1 1811/4885ACE 1658/4885ITGB3 793/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 PTPN1 3910/4885ACE 4142/4885ITGB3 3967/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 PTPN1 3710/4885ACE 4363/4885ITGB3 4000/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC PTPN1 1224/4885ACE 170/4885ITGB3 4676/4885
US-20240067665-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY NME2, BTD, BLVRB PTPN1 3566/4885ACE 4079/4885ITGB3 3125/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 PTPN1 3710/4885ACE 4363/4885ITGB3 4000/4885

“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.