SCHEMBL901583

SCHEMBL901583

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(N)=S

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
DGAT1 O75907 1/20 0.32
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL20287503 0.81 DGAT1 (0.39) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL2719 0.80 HDAC6 (0.33) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL1259595 0.77 HDAC6 (0.34) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL15137400 0.74 CA14 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL28570172 0.74 HDAC6 (0.33) HDAC6HDAC1HDAC2DGAT1
SCHEMBL8359852 0.74 HDAC6 (0.33) HDAC6HDAC1HDAC2DGAT1
SCHEMBL9978408 0.73 TAS2R38 (0.35)
SCHEMBL6512340 0.73 HDAC6 (0.37) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL28652589 0.73 HDAC6 (0.37) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL7024160 0.73 HDAC6 (0.41) HDAC6HDAC1HDAC2DGAT1CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110156641-B Synthesis method of substituted guanidine 西安近代化学研究所 2022-06-10 CN claimed
WO-2021121068-A1 MACROMOLECULE FOR PROMOTING INTAKE OF ANTICANCER DRUG, AND COMPOSITION CONTAINING SAME AND USE THEREOF IN PREPARATION OF ANTICANCER DRUG 南开大学 2021-06-24 WO claimed
US-20060270628-A1 Antiinfective 1,2,3-triazole derivatives, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. 2006-11-30 US claimed
US-6914058-B2 1-(p-(thiomorpholino)phenyl)-1,2,3-triazole derivatives DR. REDDY'S LABORATORIES, LIMITED (IN) 2005-07-05 US claimed
US-20050113347-A1 NOVEL ANTIBACTERIAL COMPOUNDS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2005-05-26 US claimed
WO-2004101531-A1 ANTIINFECTIVE 1,2,3-TRIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-25 WO claimed
EP-1467977-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. Dr. Reddy's Laboratories Ltd. (IN) 2004-10-20 EP claimed
WO-2003059894-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. DR.REDDY'S LABORATORIES LTD. (IN) 2003-07-24 WO claimed
JP-11279059-A None JP disclosed
EP-4727948-A1 ANTIMALARIAL AGENTS Merck Sharp & Dohme LLC (US) 2026-04-22 EP disclosed
EP-4431509-B1 NOVEL NON-FLUORINATED QUINOLONE COMPOUND AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO LTD BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2026-01-21 EP disclosed
US-12517133-B2 Macromolecule analysis employing nucleic acid encoding DF PEPTIDE ACQUISITION LLC 2026-01-06 US disclosed
US-12467049-B2 Methods and kits using nucleic acid encoding and/or label DF PEPTIDE ACQUISITION LLC 2025-11-11 US disclosed
US-12320813-B2 Macromolecule analysis employing nucleic acid encoding Encodia, Inc. (US) 2025-06-03 US disclosed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
WO-1996032380-A1 SUBSTITUTED INDOLYLMETHYLENE-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-17 WO disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO disclosed
WO-1996026933-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1996-09-06 WO disclosed
US-5545636-A TREATING DIABETES MELLITUS ELI LILLY AND COMPANY (US) 1996-08-13 US disclosed
WO-1995017182-A1 PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1995-06-29 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 (2 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-20060270628-A1 Antiinfective 1,2,3-triazole derivatives, process for their preparation and pharmaceutical compositions containing them IL33, IL5, IL1B HDAC6 190/4885HDAC1 1208/4885HDAC2 979/4885
US-20050113347-A1 NOVEL ANTIBACTERIAL COMPOUNDS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CYP3A4, CYP3A43, CYP3A5 HDAC6 104/4885HDAC1 1286/4885HDAC2 1340/4885

“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.