SCHEMBL4730960

SCHEMBL4730960

COC(=O)NCC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
TET2 Q6N021 1/20 0.34
TSHR P16473 4/20 0.34
BCHE P06276 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DGAT1 O75907 1/20 0.31
GAA P10253 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15033686 0.82 EPHX1 (0.40) EPHX1TET2TSHRRECQLTDP1
SCHEMBL15614667 0.80 EPHX1 (0.39) EPHX1TET2TSHRRECQLTDP1
SCHEMBL22680370 0.80 EPHX1 (0.39) EPHX1TET2TSHRRECQLTDP1
SCHEMBL14930633 0.80 EPHX1 (0.39) EPHX1TET2TSHRRECQLTDP1
SCHEMBL17036109 0.80 BCHE (0.32) BCHETDP1
SCHEMBL255203 0.80 TDP1 (0.52) EPHX1TSHRTDP1ALDH1A1GAA
SCHEMBL9046959 0.78 GAA (0.42) TSHRALDH1A1GAAHSD17B10MGAM
SCHEMBL28649387 0.78 EPHX1 (0.38) EPHX1TET2TSHRRECQL
SCHEMBL9089174 0.77 EPHX1 (0.40) EPHX1TET2TSHRGAASMN1; SMN2
SCHEMBL11622228 0.77 EPHX1 (0.40) EPHX1TET2TSHRRECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365511-A1 Antiviral Pyrazolopiridinone Compounds NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
WO-2021061898-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS NOVARTIS AG (CH) 2021-04-01 WO disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
EP-2773634-B1 ROD-LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2-[4-(BIPHENYL-4-YL)-1H-IMIDAZO-2-YL]PYRROLIDINE-1-CARBONLYMETHYL}AMINE THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-06-06 EP disclosed
US-9938301-B2 Dihydropyrimido fused ring derivative as HBV inhibitor QILU PHARMACEUTICAL CO., LTD. (CN) 2018-04-10 US disclosed
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2017-05-18 US disclosed
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 US disclosed
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 US disclosed
US-20110245258-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2011-10-06 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-4386033-A BOILING, CONDENSATION OF VAPORS, CIRCULATION; SEPARATION BAYER AKTIENGESELLSCHAFT (DE) 1983-05-31 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 (12 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-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS EPHX1 2981/4885TET2 3017/4885TSHR 4694/4885
US-20110245258-A1 NOVEL ANTIMICROBIALS ECI1, XDH, CYP3A4 EPHX1 3761/4885TET2 4623/4885TSHR 1884/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 EPHX1 2639/4885TET2 3966/4885TSHR 2599/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 EPHX1 3368/4885TET2 4110/4885TSHR 4648/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 EPHX1 2690/4885TET2 3418/4885TSHR 4730/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 EPHX1 2639/4885TET2 3966/4885TSHR 2599/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 EPHX1 1188/4885TET2 952/4885TSHR 4852/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 EPHX1 2311/4885TET2 3527/4885TSHR 4732/4885
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 EPHX1 1823/4885TET2 1311/4885TSHR 4828/4885
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 EPHX1 1199/4885TET2 2096/4885TSHR 4463/4885
US-20230365511-A1 Antiviral Pyrazolopiridinone Compounds ZC3HAV1, ZC3HAV1L, RPL35 EPHX1 2520/4885TET2 3851/4885TSHR 4281/4885
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA EPHX1 2963/4885TET2 2269/4885TSHR 380/4885

“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.