Sugi Predict

Sugi Predict / Compounds / SCHEMBL4288671

SCHEMBL4288671

SCHEMBL4288671

C=CCOC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.68
▸ ALDH1A1 P00352 5/20 0.59
▸ TSHR P16473 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ CTSD P07339 1/20 0.50
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ GLA P06280 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL11757412 0.87 CYP3A4 (0.58) CYP3A4ALDH1A1TSHRHSD17B10CTSD
SCHEMBL27266429 0.87 CYP3A4 (0.58) CYP3A4ALDH1A1TSHRHSD17B10CTSD
SCHEMBL8788585 0.87 CYP3A4 (0.58) CYP3A4ALDH1A1TSHRHSD17B10CTSD
SCHEMBL5663656 0.86 CTSD (0.51) CYP3A4ALDH1A1CTSDRAB9ANPC1
SCHEMBL4799847 0.86 ALDH1A1 (0.57) CYP3A4ALDH1A1TSHRHSD17B10CTSD
SCHEMBL2983592 0.86 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRHSD17B10CTSD
SCHEMBL11767742 0.86 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRHSD17B10RAB9A
SCHEMBL16672354 0.85 RAB9A (0.48) CYP3A4ALDH1A1CTSDRAB9ANPC1
SCHEMBL8788034 0.85 CYP3A4 (0.55) CYP3A4ALDH1A1TSHRHSD17B10CTSD
SCHEMBL5108230 0.84 CYP3A4 (0.54) CYP3A4ALDH1A1TSHRHSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141146-A1 POWDER-COATING COMPOSITIONS CONTAINING TRANSFER EFFICIENCY-ENHANCING ADDITIVES The Lubrizol Corporation (US) 2001-10-10 — — EP claimed
US-6201052-B1 FILM FORMING RESIN AND TRANSFERRING THE LUBRIZOL CORPORATION 2001-03-13 — — US claimed
WO-2000031192-A1 POWDER-COATING COMPOSITIONS CONTAINING TRANSFER EFFICIENCY-ENHANCING ADDITIVES THE LUBRIZOL CORPORATION (US) 2000-06-02 — — WO claimed
CN-118630308-A Polymer solid electrolyte, preparation method thereof and battery 重庆太蓝新能源有限公司 2024-09-10 — — CN disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 — — US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 — — US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 — — WO disclosed
EP-1141146-A1 POWDER-COATING COMPOSITIONS CONTAINING TRANSFER EFFICIENCY-ENHANCING ADDITIVES The Lubrizol Corporation (US) 2001-10-10 — — EP disclosed
US-6201052-B1 FILM FORMING RESIN AND TRANSFERRING THE LUBRIZOL CORPORATION 2001-03-13 — — US disclosed
WO-2000031192-A1 POWDER-COATING COMPOSITIONS CONTAINING TRANSFER EFFICIENCY-ENHANCING ADDITIVES THE LUBRIZOL CORPORATION (US) 2000-06-02 — — WO disclosed
EP-0508682-B1 Antibiotic carbapenem derivatives ZENECA LTD (GB) 1997-07-23 — — EP disclosed
WO-1992017481-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 — — WO disclosed
EP-0508682-A1 Antibiotic carbapenem derivatives ZENECA LIMITED (GB) 1992-10-14 — — EP disclosed
US-5087725-A PROCESS FOR THE PREPARATION OF ALKYL NITROBENZOATES HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-11 — — US disclosed
EP-0394985-A1 Process for preparing nitro benzoic acid alkyl esters HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-31 — — EP disclosed
EP-0348665-A2 Liquid crystalline polyesters GENERAL ELECTRIC COMPANY (US) 1990-01-03 — — EP disclosed
US-4845184-A AROMATIC POLYESTERS HAVING FLEXIBLE SPACER GENERAL ELECTRIC COMPANY (US) 1989-07-04 — — US disclosed
EP-0033829-A1 Process for the preparation of 1-nitro-benzene-2 carboxylic acid alkyl ester-5-carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-19 — — EP disclosed
EP-0033829-A1 Process for the preparation of 1-nitro-benzene-2 carboxylic acid alkyl ester-5-carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-19 — — EP disclosed
US-3892797-A Process for the preparation of 1-nitroben zene-2-carboxylic acid alkyl ester-5-carboxylic acid amides HOECHST AG 1975-07-01 — — US 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM CYP3A4 2751/4885ALDH1A1 2329/4885TSHR 876/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM CYP3A4 2751/4885ALDH1A1 2329/4885TSHR 876/4885

“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.