Sugi Predict

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SCHEMBL595376

SCHEMBL595376

CC(C)(C)OC(=O)Nc1ccc(OC(C)(C)C)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PSMB8 P28062 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ CYP17A1 P05093 2/20 0.41

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
SCHEMBL986492 0.89 ALDH1A1 (0.55) ALDH1A1GAAKDM4EMAPTCA12
SCHEMBL3951774 0.86 CFD (0.54) ALDH1A1GAAKDM4EMAPTCA12
SCHEMBL16412251 0.85 KDM4E (0.49) ALDH1A1GAAKDM4EMAPTCA12
SCHEMBL24073948 0.85 TDP1 (0.46) ALDH1A1GAAKDM4EMAPTCA12
SCHEMBL1854623 0.84 MAPT (0.54) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL30640612 0.84 MAPT (0.54) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL15388323 0.84 PPARG (0.49) ALDH1A1GAAKDM4EMAPTCA12
SCHEMBL14872846 0.84 ALDH1A1 (0.43) ALDH1A1GAAKDM4EMAPTCA12
SCHEMBL3957894 0.83 PPARG (0.48) ALDH1A1GAAKDM4EMAPTCA12
SCHEMBL596681 0.82 KDM4E (0.64) ALDH1A1KDM4EMAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022115952-A1 [1-(4-CHLORO-BENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-ACETIC ACID 4-THIOCARBAMOYL-PHENYL ESTER FOR THE TREATMENT OF A VIRAL INFECTION ANTIBE THERAPEUTICS INC. (CA) 2022-06-09 — — WO disclosed
US-10450260-B2 NO- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2019-10-22 — — US disclosed
US-10450260-B2 NO- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2019-10-22 — — US disclosed
CN-103874488-B NO and H2S discharges compound 纽约城市大学研究基金会 2018-03-20 — — CN disclosed
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 — — US disclosed
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 — — US disclosed
US-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 — — US disclosed
US-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 — — US disclosed
EP-2744487-B1 NO- AND H2S- RELEASING COMPOUNDS UNIV CITY NEW YORK RES FOUND (US) 2016-10-05 — — EP disclosed
EP-2744487-B1 NO- AND H2S- RELEASING COMPOUNDS UNIV CITY NEW YORK RES FOUND (US) 2016-10-05 — — EP disclosed
EP-2041108-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS Antibe Therapeutics Inc. (US) 2009-04-01 — — EP disclosed
US-7498355-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2009-03-03 — — US disclosed
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid ANTIBE THERAPEUTICS INC. (CA) 2008-08-28 — — US disclosed
EP-1883645-A4 DERIVATIVES OF 4-OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC (US) 2008-06-25 — — EP disclosed
EP-1883645-A1 DERIVATIVES OF 4-OR 5-AMINOSALICYLIC ACID Antibe Therapeutics Inc. (US) 2008-02-06 — — EP disclosed
WO-2008009118-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-24 — — WO disclosed
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2007-08-23 — — US disclosed
US-20060270635-A1 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2006-11-30 — — US disclosed
WO-2006125293-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2006-11-30 — — WO disclosed
WO-2006125295-A1 DERIVATIVES OF 4-OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2006-11-30 — — 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 (5 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-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 ALDH1A1 961/4885GAA 3291/4885KDM4E 2251/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 ALDH1A1 961/4885GAA 3291/4885KDM4E 2251/4885
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid CBS, SI, TST ALDH1A1 388/4885GAA 4499/4885KDM4E 422/4885
US-20060270635-A1 Derivatives of 4- or 5-aminosalicylic acid CBS, SI, APC ALDH1A1 572/4885GAA 4568/4885KDM4E 739/4885
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid CBS, SI, APC ALDH1A1 572/4885GAA 4568/4885KDM4E 739/4885

“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.