SCHEMBL304611

SCHEMBL304611

CC(C)(C)OC(=O)C1(C(=O)O)NCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
MAPK1 P28482 1/20 0.35
KDM1A O60341 1/20 0.35
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
NR1H2 P55055 3/20 0.33
RXRA P19793 2/20 0.33
NR1H3 Q13133 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL715619 1.00 EPHX2 (0.38) EPHX2MAPK1KDM1ALMNABLM
SCHEMBL30899459 1.00 EPHX2 (0.38) EPHX2MAPK1KDM1ALMNABLM
SCHEMBL5211064 0.86 MAPK1 (0.36) EPHX2MAPK1KDM1ALMNABLM
SCHEMBL1325109 0.82 THRB (0.38) LMNABLM
SCHEMBL23183322 0.80 EPHX2 (0.39) EPHX2MAPK1KDM1ALMNABLM
SCHEMBL17648648 0.80 EPHX2 (0.39) EPHX2MAPK1KDM1ALMNABLM
SCHEMBL19122693 0.77 EPHX2 (0.37) EPHX2MAPK1KDM1ADDB1CRBN
SCHEMBL27945905 0.75 EPHX2 (0.38) EPHX2MAPK1MEN1KMT2AGPR119
SCHEMBL28146558 0.71 ALDH1A1 (0.37) KDM1ABLMRECQLALDH1A1CYP3A4
SCHEMBL1202127 0.71 ESR2 (0.41) LMNABLMNR1H2NR1H3RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788040-B1 PYRIDAZINONES AS PARP7 INHIBITORS RIBON THERAPEUTICS INC (US) 2023-04-12 EP disclosed
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
EP-2499115-B1 PROCESS FOR PREPARING HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-07-27 EP disclosed
CN-102791693-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-04-13 CN disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
EP-1465891-A4 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARM INC (US) 2005-08-17 EP disclosed
EP-1465891-A2 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-10-13 EP disclosed
WO-2003057666-A2 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS (US) 2003-07-17 WO disclosed
WO-2003057144-A2 CHANGE INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS (US) 2003-07-17 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 (7 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL EPHX2 2180/4885MAPK1 4187/4885KDM1A 4193/4885
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS EPHX2 2195/4885MAPK1 4096/4885KDM1A 4221/4885
US-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS EPHX2 2195/4885MAPK1 4096/4885KDM1A 4221/4885
US-20090233925-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS EPHX2 2195/4885MAPK1 4096/4885KDM1A 4221/4885
US-20100080772-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS EPHX2 2195/4885MAPK1 4096/4885KDM1A 4221/4885
US-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS EPHX2 2195/4885MAPK1 4096/4885KDM1A 4221/4885
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A EPHX2 1982/4885MAPK1 2999/4885KDM1A 1036/4885

“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.