SCHEMBL1133307

SCHEMBL1133307

CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.57
ICAM1 P05362 3/20 0.57
ITGAL P20701 3/20 0.57
REN P00797 4/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
SLC6A5 Q9Y345 1/20 0.51
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC7A5 Q01650 1/20 0.49
ACE P12821 1/20 0.47
SLC15A2 Q16348 1/20 0.47
HRH3 Q9Y5N1 3/20 0.46
CPB2 Q96IY4 1/20 0.46

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
SCHEMBL14028689 1.00 ITGB2 (0.57) ITGB2ICAM1ITGALRENCA1
SCHEMBL1132649 1.00 ITGB2 (0.57) ITGB2ICAM1ITGALRENCA1
SCHEMBL28684251 0.99 ITGB2 (0.56) ITGB2ICAM1ITGALRENCA1
SCHEMBL18878768 0.90 REN (0.49) ITGB2ICAM1ITGALRENCA1
SCHEMBL7438987 0.89 ITGB2 (0.54) ITGB2ICAM1ITGALRENCA1
SCHEMBL1486141 0.89 REN (0.49) ITGB2ICAM1ITGALRENHRH3
SCHEMBL18814494 0.89 REN (0.49) ITGB2ICAM1ITGALRENHRH3
SCHEMBL29290115 0.88 REN (0.55) RENSLC15A2
SCHEMBL7317825 0.88 REN (0.66) RENACE
SCHEMBL6806998 0.87 ITGB2 (0.62) ITGB2ICAM1ITGALCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132943-A1 DECAHYDROQUINOLINES AS DNA POLYMERASE THETA INHIBITORS BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 WO disclosed
WO-2025090774-A1 CHEMOTHERAPEUTIC COMPOUNDS AND METHODS OF USE SEAGEN INC. (US) 2025-05-01 WO disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
CN-114874146-B Histidine lipid, histidine lipid nanoparticle, and preparation method and application thereof 圣诺生物医药技术(苏州)有限公司 2023-09-12 CN disclosed
WO-2023068755-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 사피엔스바이오 2023-04-27 WO disclosed
US-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives ASTRAZENECA AB (SE) 2016-04-21 US disclosed
US-9257576-B2 Amino acid generator and polysiloxane composition containing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
EP-2721030-B1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES TAKEDA GMBH (DE) 2015-12-16 EP disclosed
US-20140112945-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES TAKEDA GMBH (DE) 2014-04-24 US disclosed
EP-2721030-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES Takeda GmbH (DE) 2014-04-23 EP disclosed
US-20130313669-A1 AMINO ACID GENERATOR AND POLYSILOXANE COMPOSITION CONTAINING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-11-28 US disclosed
WO-2012171900-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES NYCOMED GMBH (DE) 2012-12-20 WO disclosed
US-8299035-B2 10a-azalide compound having 4-membered ring structure TAISHO PHARMACEUTUCAL CO., LTD. (JP) 2012-10-30 US disclosed
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
US-20110073977-A1 AMINO ACID GENERATOR AND POLYSILOXANE COMPOSITION CONTAINING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-03-31 US disclosed
EP-2287173-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
CN-1092767-A Promote spiroperidol and homologue that tethelin discharges MERCK & CO INC (US) 1994-09-28 CN 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 (4 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-20110073977-A1 AMINO ACID GENERATOR AND POLYSILOXANE COMPOSITION CONTAINING THE SAME DAO, BCAT1, BCAT2 ITGB2 1446/4885ICAM1 1121/4885ITGAL 1612/4885
US-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives PDE4A, PDE4B, PDE5A ITGB2 4674/4885ICAM1 4740/4885ITGAL 4490/4885
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE ELOVL3, ELOVL5, SCD5 ITGB2 3494/4885ICAM1 2269/4885ITGAL 2640/4885
US-20140112945-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES PDE4A, PDE4B, PDE5A ITGB2 4701/4885ICAM1 4784/4885ITGAL 4534/4885

“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.