SCHEMBL753973

SCHEMBL753973

COc1cc(Cl)c(C)cc1N1C(=O)C(C)(C)Oc2cc(NS(C)(=O)=O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.58
SCN9A Q15858 1/20 0.42
BRD4 O60885 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP17A1 P05093 1/20 0.37
NR3C1 P04150 2/20 0.37
KDM1A O60341 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36

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
SCHEMBL754274 0.84 NR3C2 (0.66) NR3C2SCN9ABRD4MEN1KMT2A
SCHEMBL753903 0.84 NR3C2 (0.72) NR3C2SCN9ABRD4HSD17B10GAA
SCHEMBL756493 0.82 NR3C2 (0.70) NR3C2BRD4MEN1KMT2AHPGD
SCHEMBL755187 0.82 NR3C2 (0.70) NR3C2BRD4MEN1KMT2AHPGD
SCHEMBL756423 0.82 NR3C2 (0.63) NR3C2BRD4HPGDGAAMAPK1
SCHEMBL753722 0.81 NR3C2 (0.62) NR3C2BRD4HPGDGAAMAPK1
SCHEMBL753742 0.81 NR3C2 (0.61) NR3C2BRD4HPGDMAPTGAA
SCHEMBL754298 0.80 NR3C2 (0.63) NR3C2BRD4HPGDGAAMAPK1
SCHEMBL754308 0.80 NR3C2 (0.65) NR3C2BRD4MEN1KMT2AHPGD
SCHEMBL753924 0.79 NR3C2 (0.74) NR3C2SCN9ABRD4HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049558-B8 NAPHTHALENE 2-CARBOXYLATE DERIVATIVE USEFUL FOR SYNTHESIZING GEMCITABINE AND A METHOD FOR PREPARING THE SAME YUIL PHARM TECH CO LTD (KR) 2012-08-01 EP claimed
EP-1984345-B9 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP claimed
EP-2049558-B1 NAPHTHALENE 2-CARBOXYLATE DERIVATIVE USEFUL FOR SYNTHESIZING GEMCITABINE AND A METHOD FOR PREPARING THE SAME YUIL PHARM TECH CO LTD (KR) 2012-03-21 EP claimed
EP-1984345-B1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-31 EP claimed
US-7998956-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-16 US claimed
US-20100010205-A1 NAPHTHALENE 2-CARBOXYLATE DERIVATIVE USEFUL FOR SYNTHESIZING GEMCITABINE AND A METHOD FOR PREPARING THE SAME YUIL PHARM TECH CO., LTD (KR) 2010-01-14 US claimed
EP-2049558-A1 NAPHTHALENE 2-CARBOXYLATE DERIVATIVE USEFUL FOR SYNTHESIZING GEMCITABINE AND A METHOD FOR PREPARING THE SAME Yuil Pharm Tech Co., Ltd. (KR) 2009-04-22 EP claimed
US-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US claimed
EP-1984345-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-29 EP claimed
WO-2008016244-A1 NAPHTHALENE 2-CARBOXYLATE DERIVATIVE USEFUL FOR SYNTHESIZING GEMCITABINE AND A METHOD FOR PREPARING THE SAME YUIL PHARM TECH CO., LTD (KR) 2008-02-07 WO claimed
WO-2007089034-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO claimed
JP-64000057-A None JP disclosed
US-12006376-B2 Regioselectively substituted cellulose esters and films made therefrom EASTMAN CHEMICAL COMPANY (US) 2024-06-11 US disclosed
EP-3445812-B1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS AND FILMS MADE THEREFROM EASTMAN CHEM CO (US) 2023-10-25 EP disclosed
US-20230235093-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS AND FILMS MADE THEREFROM EASTMAN CHEMICAL COMPANY (US) 2023-07-27 US disclosed
US-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
EP-1984345-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-29 EP disclosed
WO-2008016244-A1 NAPHTHALENE 2-CARBOXYLATE DERIVATIVE USEFUL FOR SYNTHESIZING GEMCITABINE AND A METHOD FOR PREPARING THE SAME YUIL PHARM TECH CO., LTD (KR) 2008-02-07 WO disclosed
WO-2007089034-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
JP-S6457-A NOVEL CHOLINE DERIVATIVE AND METHOD FOR MEASURING CHOLINE ESTERASE ACTIVITY USING SAID DERIVATIVE NITTO BOSEKI CO LTD 1989-01-05 JP 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-20100010205-A1 NAPHTHALENE 2-CARBOXYLATE DERIVATIVE USEFUL FOR SYNTHESIZING GEMCITABINE AND A METHOD FOR PREPARING THE SAME NUDT1, DUT, UMPS NR3C2 3511/4885SCN9A 4230/4885BRD4 1103/4885
US-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents NR3C2, MC2R, NR3C1 NR3C2 1/4885SCN9A 1028/4885BRD4 203/4885

“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.