Sugi Predict

Sugi Predict / Compounds / SCHEMBL135651

SCHEMBL135651

SCHEMBL135651

O=C(O)CCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ HDAC3 O15379 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ HDAC10 Q969S8 1/20 0.58
▸ HDAC11 Q96DB2 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ HDAC9 Q9UKV0 1/20 0.58
▸ HDAC5 Q9UQL6 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.54
▸ MAPT P10636 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52

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
Hydrochloric Acid SCHEMBL5030930 0.98 TSHR (0.58) TSHRHDAC3MAPK1ADRA1AHDAC4
SCHEMBL11760068 0.95 TSHR (0.54) TSHRHDAC3MAPK1ADRA1AHDAC4
SCHEMBL1527806 0.95 MAPT (0.58) TSHRHDAC3MAPK1ADRA1AHDAC4
SCHEMBL153108 0.93 MAPT (0.61) TSHRHDAC3MAPK1ADRA1AHDAC4
SCHEMBL2944805 0.93 MAPT (0.61) TSHRHDAC3MAPK1ADRA1AHDAC4
SCHEMBL153580 0.93 MAPT (0.61) TSHRHDAC3MAPK1ADRA1AHDAC4
SCHEMBL154515 0.93 MAPT (0.61) TSHRHDAC3MAPK1ADRA1AHDAC4
SCHEMBL2945405 0.93 MAPT (0.61) TSHRHDAC3MAPK1ADRA1AHDAC4
SCHEMBL1400171 0.93 MAPT (0.61) TSHRHDAC3MAPK1ADRA1AHDAC4
SCHEMBL2952790 0.93 MAPT (0.61) TSHRHDAC3MAPK1ADRA1AHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 — — EP claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 — — WO claimed
EP-3696264-B1 COMPOSITIONS AND METHODS COMPRISING A LIPOLYTIC ENZYME VARIANT DANISCO US INC (US) 2023-06-28 — — EP claimed
CN-113684195-A Sterol esterase and coding gene and mutant thereof 中国海洋大学 2021-11-23 — — CN claimed
CN-113061599-A Method for catalyzing organic ester hydrolysis by high internal phase emulsion 华东理工大学 2021-07-02 — — CN claimed
CN-111386331-A Ester compound, lubricating oil composition containing same, and method for producing same 埃克森美孚化学专利公司 2020-07-07 — — CN claimed
EP-3022299-B1 COMPOSITIONS AND METHODS COMPRISING A LIPOLYTIC ENZYME VARIANT DANISCO US INC (US) 2020-03-18 — — EP claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 — — US claimed
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES Indiana University Research and Technology Corpora tion (US) 2016-06-23 — — US claimed
US-9217012-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-22 — — US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 — — US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 — — US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 — — US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 — — US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 — — US claimed
EP-0897942-B1 A method of crosslinking collagen-based material and bioprosthetic devices produced therefrom MEDTRONIC INC (US) 2004-03-10 — — EP claimed
CN-1321695-A Poly(hydroxy alkanoate), its preparation method and use of microbe in its preparation CANON KK (JP) 2001-11-14 — — CN claimed
US-5977418-A Regioselective nitration of aromatic compounds by dinitrogen pentoxide and the reaction products thereof DAMAVARAPU REDDY (US) 1999-11-02 — — US claimed
US-5946638-A Regioselective nitration of aromatic compounds and the reaction products thereof GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETRY OF THE ARMY 1999-08-31 — — US claimed
EP-0268452-B1 NOVEL HYDROLASE AND METHOD OF PRODUCTION GENENCOR, INC. (US) 1992-01-22 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS TSHR 1605/4885HDAC3 3090/4885MAPK1 1427/4885
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS TSHR 1605/4885HDAC3 3090/4885MAPK1 1427/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 TSHR 2894/4885HDAC3 1033/4885MAPK1 4104/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 TSHR 4082/4885HDAC3 849/4885MAPK1 3295/4885

“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.