SCHEMBL1028062

SCHEMBL1028062

CCNCCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
EPHX1 P07099 1/20 0.49
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
MALT1 Q9UDY8 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BCHE P06276 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
IDO1 P14902 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
Hydrochloric Acid SCHEMBL5125701 0.98 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL631719 0.90 TDP1 (0.60) TDP1MEN1GAAKMT2AMAOA
SCHEMBL20801639 0.90 TDP1 (0.60) TDP1MEN1GAAKMT2AMAOA
SCHEMBL9998912 0.90 TDP1 (0.60) TDP1MEN1GAAKMT2AMAOA
SCHEMBL2084039 0.89 MAOA (0.66) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3177182 0.89 MAOA (0.61) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3341020 0.87 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL14472344 0.87 TDP1 (0.69) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10050115 0.86 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10050077 0.86 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
US-20250340548-A1 KRAS G12C INHIBITORS FRONTIER MEDICINES CORP (US) 2025-11-06 US disclosed
US-12291539-B2 KRAS G12C inhibitors FRONTIER MEDICINES CORPORATION (US) 2025-05-06 US disclosed
US-20250019387-A1 KRAS G12C INHIBITORS FRONTIER MEDICINES CORPORATION 2025-01-16 US disclosed
US-20250002522-A1 OLIGOSACCHARIDE COMPOUNDS AND COMPLEXES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2025-01-02 US disclosed
EP-4426695-A1 KRAS G12C INHIBITORS Frontier Medicines Corporation (US) 2024-09-11 EP disclosed
CN-118414345-A Oligosaccharide compounds and complexes 生物技术公司 2024-07-30 CN disclosed
CN-118239953-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2024-06-25 CN disclosed
CN-117731675-A Medical application of pentacyclic triterpene derivative, pentacyclic triterpene derivative and pharmaceutical composition containing pentacyclic triterpene derivative 上海科技大学 2024-03-22 CN disclosed
CN-117659038-A Water-soluble triptolide prodrug compound and synthetic method and application thereof 湖北大学 2024-03-08 CN disclosed
WO-2012088522-A1 POLYMER-DES-ETHYL SUNITINIB CONJUGATES NEKTAR THERAPEUTICS (US) 2012-06-28 WO disclosed
CN-102485721-A Substituted 2,3-phthalazinone compounds and application thereof SUZHOU KERUIGE MEDICAL TECHNOLOGY CO LTD 2012-06-06 CN disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7449315-B2 Bifunctional energy-reversible acyl-compositions CRYOLIFE, INC. (US) 2008-11-11 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20070167644-A1 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS CRYOLIFE, INC. (US) 2007-07-19 US disclosed
US-7157458-B2 Bifunctional energy-reversible acyl-compositions CRYOLIFE, INC. (US) 2007-01-02 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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 (8 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-20250002522-A1 OLIGOSACCHARIDE COMPOUNDS AND COMPLEXES OSTC, FUT6, MAN2B2 TDP1 1306/4885MEN1 2389/4885GAA 40/4885
US-20070167644-A1 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS ACACB, ACAT1, ACACA TDP1 3994/4885MEN1 2547/4885GAA 1935/4885
US-12291539-B2 KRAS G12C inhibitors KRAS, NRAS, HRAS TDP1 3020/4885MEN1 721/4885GAA 885/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 TDP1 744/4885MEN1 514/4885GAA 1870/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 TDP1 235/4885MEN1 474/4885GAA 2024/4885
US-20250340548-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TDP1 3020/4885MEN1 721/4885GAA 885/4885
US-20250019387-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TDP1 3020/4885MEN1 721/4885GAA 885/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 TDP1 611/4885MEN1 407/4885GAA 2665/4885

“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.