Sugi Predict

Sugi Predict / Compounds / SCHEMBL791231

SCHEMBL791231

SCHEMBL791231

COc1c([N+](=O)[O-])ccc(C(=O)O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ TPMT P51580 1/20 0.51
▸ TSHR P16473 2/20 0.49
▸ PKM P14618 1/20 0.48
▸ AKR1C3 P42330 4/20 0.45
▸ AKR1C2 P52895 4/20 0.45
▸ AKR1B10 O60218 1/20 0.45
▸ AKR1B1 P15121 1/20 0.45
▸ AKR1C4 P17516 1/20 0.45
▸ AKR1C1 Q04828 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ DTYMK P23919 1/20 0.44
▸ CDK2 P24941 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL12565695 0.87 TPMT (0.51) MAPTTDP1TPMTTSHRPKM
SCHEMBL15962018 0.87 CRHBP (0.46) MAPTTDP1TPMTAKR1C3AKR1C2
SCHEMBL10766611 0.87 TSHR (0.51) MAPTTDP1TPMTTSHRPKM
SCHEMBL14605182 0.84 TSHR (0.61) MAPTTDP1TPMTTSHRPKM
SCHEMBL16369648 0.83 ALDH1A1 (0.44) MAPTTDP1TPMTTSHRAKR1C3
SCHEMBL15210381 0.83 TSHR (0.47) MAPTTDP1TPMTTSHRPKM
SCHEMBL16974735 0.83 TSHR (0.47) MAPTTDP1TPMTTSHRPKM
SCHEMBL2028545 0.83 TSHR (0.47) MAPTTDP1TPMTTSHRPKM
SCHEMBL5153669 0.81 PKM (0.55) MAPTTDP1TPMTTSHRPKM
SCHEMBL20741517 0.81 TSHR (0.61) MAPTTDP1TPMTTSHRPKM

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
US-20260146037-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF SHANGHAI YIDIAN PHARMACEUTICAL TECHNOLOGY DEVELOPMENT CO., LTD (CN) 2026-05-28 — — US disclosed
US-20250101011-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF SHANGHAI YIDIAN PHARMACEUTICAL TECHNOLOGY DEVELOPMENT CO., LTD (CN) 2025-03-27 — — US disclosed
EP-4450497-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF Shanghai Yidian Pharmaceutical Technology Development Co., Ltd (CN) 2024-10-23 — — EP disclosed
CN-118475575-A Peptidyl nitrile compound and application thereof 上海壹典医药科技开发有限公司 2024-08-09 — — CN disclosed
US-20230348422-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2023-11-02 — — US disclosed
US-20230348422-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2023-11-02 — — US disclosed
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 — — WO disclosed
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 — — WO disclosed
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 — — US disclosed
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 — — US disclosed
US-20160145304-A1 CYSTOBACTAMIDES HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2016-05-26 — — US disclosed
US-20160145304-A1 CYSTOBACTAMIDES HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2016-05-26 — — US disclosed
EP-3019615-A2 CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2016-05-18 — — EP disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 — — US disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 — — US disclosed
WO-2015003816-A2 CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2015-01-15 — — WO disclosed
WO-2015003816-A2 CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2015-01-15 — — WO disclosed
WO-2014125075-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2014-08-21 — — WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 — — WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 — — 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-20250101011-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF CTSC, CTSL, CTRL MAPT 2063/4885TDP1 2930/4885TPMT 3004/4885
US-20160145304-A1 CYSTOBACTAMIDES CTH, SLC7A11, CBS MAPT 3395/4885TDP1 4675/4885TPMT 126/4885
US-11225503-B2 Crystobactamides PKD2, SLC7A11, CTH MAPT 1600/4885TDP1 4779/4885TPMT 1902/4885
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS MB, ALB, BCAT2 MAPT 3111/4885TDP1 4796/4885TPMT 332/4885
US-20230348422-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS ALB, AAAS, INF2 MAPT 1635/4885TDP1 4770/4885TPMT 3693/4885
US-20260146037-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF JAK1, CTSZ, CTSL MAPT 2737/4885TDP1 3613/4885TPMT 1452/4885

“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.