SCHEMBL3206281

SCHEMBL3206281

CC1(NC(=O)OC(C)(C)C)CCC(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
RORC P51449 1/20 0.39
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
APLNR P35414 1/20 0.35
GHSR Q92847 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSL P07711 1/20 0.33
MAPK10 P53779 1/20 0.33
P2RX7 Q99572 1/20 0.32
SPR P35270 1/20 0.32
RET P07949 1/20 0.32

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
SCHEMBL21844115 0.90 GAA (0.40) GAARORCNFKB1NFKB2RELA
SCHEMBL2087734 0.85 RORC (0.43) GAARORCNFKB1NFKB2RELA
SCHEMBL23274329 0.82 GAA (0.44) GAARORCNFKB1NFKB2RELA
SCHEMBL18424709 0.82 RORC (0.39) GAARORCNFKB1NFKB2RELA
SCHEMBL17520236 0.82 RORC (0.39) GAARORCNFKB1NFKB2RELA
SCHEMBL25521432 0.81 GAA (0.39) GAARORCNFKB1NFKB2RELA
SCHEMBL26012490 0.81 GAA (0.36) GAARORCNFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL28132627 0.80 RORC (0.39) GAARORCNFKB1NFKB2RELA
SCHEMBL24572117 0.80 RORC (0.39) GAARORCNFKB1NFKB2RELA
SCHEMBL26018305 0.80 RORC (0.39) GAARORCNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2025-11-25 US disclosed
US-20250188069-A1 COMPOUNDS AND METHODS FOR DEGRADING CASEIN KINASE 1 ALPHA PIN THERAPEUTICS, INC. (KR) 2025-06-12 US disclosed
EP-4558137-A2 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Merck Sharp & Dohme LLC (US) 2025-05-28 EP disclosed
US-12312336-B2 Inhibitors of RAF kinases Pierre Fabre Médicament (FR) 2025-05-27 US disclosed
EP-3707126-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2025-05-14 EP disclosed
WO-2025097104-A1 THIENYL COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2025-05-08 WO disclosed
EP-4543868-A1 COMPOUNDS AND METHODS FOR DEGRADING CASEIN KINASE 1 ALPHA Pin Therapeutics, Inc. (KR) 2025-04-30 EP disclosed
US-20250019376-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS MERCK SHARP & DOHME LLC (US) 2025-01-16 US disclosed
US-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2024-12-26 US disclosed
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 US disclosed
WO-2005033099-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-04-14 WO disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
WO-2004099185-A1 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS DPP-IV INHIBITORS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-18 WO disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
CN-1468217-A Aliphatic nitrogenous five-membered ring compounds ������ҩ��ʽ���� 2004-01-14 CN disclosed
CN-1468216-A Nitrogenous five-membered ring compound ������ҩ��ʽ���� 2004-01-14 CN disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 EP 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 (9 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 GAA 2920/4885RORC 1244/4885NFKB1 492/4885
US-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 GAA 1747/4885RORC 3226/4885NFKB1 1874/4885
US-20250019376-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS PAM, ACMSD, MGAM2 GAA 782/4885RORC 1724/4885NFKB1 410/4885
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 GAA 771/4885RORC 1457/4885NFKB1 962/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 GAA 4346/4885RORC 2364/4885NFKB1 2978/4885
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors XBP1, DDIT3, HSP90B1 GAA 2332/4885RORC 2242/4885NFKB1 2092/4885
US-20250188069-A1 COMPOUNDS AND METHODS FOR DEGRADING CASEIN KINASE 1 ALPHA CSNK1A1, CSNK1G1, CSNK2A1 GAA 84/4885RORC 2419/4885NFKB1 948/4885
US-12312336-B2 Inhibitors of RAF kinases BRAF, RAF1, ARAF GAA 1754/4885RORC 594/4885NFKB1 1350/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 GAA 3354/4885RORC 1428/4885NFKB1 835/4885

“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.