SCHEMBL4616972

SCHEMBL4616972

CC(C)(C)C(=O)n1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.43
MAPT P10636 1/20 0.37
TBXAS1 P24557 7/20 0.37
ALDH1A1 P00352 2/20 0.36
NFKB1 P19838 1/20 0.36
QPCT Q16769 1/20 0.36
HSD17B10 Q99714 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
HTT P42858 1/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34

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
SCHEMBL14219626 0.85 NFKB1 (0.39) CYP24A1MAPTTBXAS1ALDH1A1NFKB1
SCHEMBL27397907 0.83 CYP24A1 (0.38) CYP24A1MAPTTBXAS1ALDH1A1NFKB1
SCHEMBL7789777 0.83 CYP24A1 (0.38) CYP24A1MAPTTBXAS1ALDH1A1NFKB1
SCHEMBL14219610 0.83 CYP24A1 (0.38) CYP24A1MAPTTBXAS1ALDH1A1NFKB1
SCHEMBL9610803 0.83 CYP24A1 (0.38) CYP24A1MAPTTBXAS1ALDH1A1NFKB1
SCHEMBL22160768 0.80 CYP24A1 (0.37) CYP24A1MAPTTBXAS1ALDH1A1NFKB1
SCHEMBL156615 0.78 MAPT (0.37) CYP24A1MAPTTBXAS1ALDH1A1NFKB1
SCHEMBL5314422 0.78 ALDH1A1 (0.36) CYP24A1MAPTTBXAS1ALDH1A1NFKB1
SCHEMBL13446154 0.78 L3MBTL1 (0.40) CYP24A1MAPTTBXAS1ALDH1A1HTT
SCHEMBL3027719 0.75 L3MBTL1 (0.38) CYP24A1MAPTTBXAS1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008082224-A1 WATER-SOLUBLE PHOTOINITIATORS INKTEC CO., LTD. (KR) 2008-07-10 WO claimed
US-RE35558-E (2R)-2-[di(2-propyl)phosphonyylmethoxy]-3-P-toluenesulfonyloxy-1-trimethylacetoxypropane, its preparation and use INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1997-07-08 US claimed
US-5130427-A Viricides formed by etherification, esterification and reaction with a phosphonate containing compound CESKOSLOVENSKA AKADEMIE VED (CS) 1992-07-14 US claimed
EP-0470809-A1 Antiviral nucleosides, compounds useful in their preparation and processes of making them Ceskoslovenska akademie ved (CS) 1992-02-12 EP claimed
JP-5230087-A None JP disclosed
CN-119707784-A Process for preparing amino acid derivatives 株式会社API 2025-03-28 CN disclosed
CN-112930338-B Process for preparing amino acid derivatives 株式会社API 2024-12-24 CN disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-12018003-B2 Substituted pyrimidines as matrix metalloproteinase-9 hemopexin domain inhibitors THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-06-25 US disclosed
US-11857635-B2 Linker compound, polyethylene glycol-linker conjugate and derivative thereof and polyethylene glycol-linker-drug conjugate JENKEM TECHNOLOGY CO., LTD. (TIANJIN) (CN) 2024-01-02 US disclosed
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 US disclosed
US-20230043447-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2023-02-09 US disclosed
US-7335753-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
EP-1888612-A1 CRYSTALLINE SUGAR COMPOSITIONS AND METHOD OF MAKING Amicus Therapeutics, Inc. (US) 2008-02-20 EP disclosed
US-20060293250-A1 Crystalline sugar compositions and method of making WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-12-28 US disclosed
WO-2006133447-A1 CRYSTALLINE SUGAR COMPOSITIONS AND METHOD OF MAKING AMICUS THERAPEUTICS, INC. (US) 2006-12-14 WO disclosed
US-RE35558-E (2R)-2-[di(2-propyl)phosphonyylmethoxy]-3-P-toluenesulfonyloxy-1-trimethylacetoxypropane, its preparation and use INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1997-07-08 US disclosed
JP-H05230087-A (2R)-2-(DI(2-PROPYL)PHOSPHONYLMETHOXY)-3-P-TOLUENESULFONYLOXY-1-TRIMETHYLACETOXYPROPANE, ITS PREPARATION AND UTILIZATION CESKOSLOVENSKA AKAD VED 1993-09-07 JP disclosed
US-5130427-A Viricides formed by etherification, esterification and reaction with a phosphonate containing compound CESKOSLOVENSKA AKADEMIE VED (CS) 1992-07-14 US disclosed
EP-0470809-A1 Antiviral nucleosides, compounds useful in their preparation and processes of making them Ceskoslovenska akademie ved (CS) 1992-02-12 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 (6 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-20060293250-A1 Crystalline sugar compositions and method of making MGAM, DAD1, UGDH CYP24A1 2421/4885MAPT 1282/4885TBXAS1 2303/4885
US-12018003-B2 Substituted pyrimidines as matrix metalloproteinase-9 hemopexin domain inhibitors MMP9, MMP7, MMP11 CYP24A1 2299/4885MAPT 422/4885TBXAS1 219/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS CYP24A1 4669/4885MAPT 2968/4885TBXAS1 1662/4885
US-20230043447-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES CD2BP2, DNPEP, LNPEP CYP24A1 4212/4885MAPT 634/4885TBXAS1 4053/4885
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 CYP24A1 1667/4885MAPT 585/4885TBXAS1 3361/4885
US-11857635-B2 Linker compound, polyethylene glycol-linker conjugate and derivative thereof and polyethylene glycol-linker-drug conjugate DCLRE1A, LANCL2, SI CYP24A1 2226/4885MAPT 1039/4885TBXAS1 4021/4885

“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.