Sugi Predict

Sugi Predict / Compounds / SCHEMBL1065935

SCHEMBL1065935

SCHEMBL1065935

CC1(C)OB(c2ccc([N+](=O)[O-])c(N)c2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40

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
SCHEMBL190588 0.89 TDP1 (0.54) TDP1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL29398685 0.83 MAPT (0.45) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL3678053 0.83 MAPT (0.45) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL59736 0.82 ATM (0.49) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL28452806 0.82 LPL (0.39) TDP1TSHRLMNAMEN1KMT2A
SCHEMBL1284877 0.82 GPR35 (0.51) TDP1TSHRCYP1A2CYP2C9MAPT
SCHEMBL28453522 0.82 TSHR (0.49) TDP1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL28452550 0.82 CA1 (0.40) TSHRALDH1A1CYP3A4CA1CA2
SCHEMBL15357248 0.80 CA1 (0.42) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL4550135 0.80 ALDH1A1 (0.47) TDP1TSHRMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-07 — — US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 — — US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 — — US disclosed
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-11-03 — — US disclosed
EP-3966196-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-03-16 — — EP disclosed
WO-2020225569-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2020-11-12 — — WO disclosed
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 — — US disclosed
WO-2017007755-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2017-01-12 — — WO disclosed
EP-2178375-B1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2014-09-24 — — EP disclosed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 — — US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 — — US disclosed
EP-2178375-A1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2010-04-28 — — EP disclosed
WO-2009014620-A1 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES MERCK & CO., INC. (US) 2009-01-29 — — WO disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 — — US disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 — — EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 — — WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 — — WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 — — WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 — — 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 (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-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS CHP1, ERAP1, QSOX1 TDP1 3641/4885TSHR 1418/4885CYP1A2 1989/4885
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS ERAP1, CHP1, QSOX1 TDP1 3995/4885TSHR 1266/4885CYP1A2 2230/4885
US-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 TDP1 926/4885TSHR 3869/4885CYP1A2 4430/4885
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MAPT, TTBK1, TTBK2 TDP1 169/4885TSHR 3688/4885CYP1A2 4161/4885
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC5 TDP1 1674/4885TSHR 4637/4885CYP1A2 2948/4885
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators ERAP1, CHP1, QSOX1 TDP1 3614/4885TSHR 1363/4885CYP1A2 1848/4885

“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.