Sugi Predict

Sugi Predict / Compounds / SCHEMBL1757097

SCHEMBL1757097

SCHEMBL1757097

COc1cc(C(=O)O)ccc1C#N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.62
▸ CA1 P00915 2/20 0.62
▸ CA2 P00918 2/20 0.62
▸ CA4 P22748 2/20 0.62
▸ CA6 P23280 2/20 0.62
▸ CA7 P43166 2/20 0.62
▸ CA9 Q16790 2/20 0.62
▸ CA14 Q9ULX7 2/20 0.62
▸ TPMT P51580 1/20 0.62
▸ HTT P42858 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TSHR P16473 2/20 0.54
▸ LMNA P02545 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TTR P02766 1/20 0.51
▸ PKM P14618 2/20 0.50
▸ CA3 P07451 1/20 0.50
▸ CA5A P35218 1/20 0.50

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
SCHEMBL1419879 0.90 ALDH1A1 (0.62) CA12CA1CA2CA4CA6
SCHEMBL7293099 0.86 ALDH1A1 (0.56) ALDH1A1TSHRLMNARAB9AIMPDH2
SCHEMBL5695670 0.86 KDM4E (0.55) CA12CA1CA2CA4CA6
SCHEMBL7290107 0.85 ALDH1A1 (0.48) CA12CA1CA2CA4CA6
SCHEMBL1756642 0.85 MAPT (0.57) CA12CA1CA2CA7CA9
SCHEMBL17664390 0.85 MAPK1 (0.54) CA12CA1CA2CA4CA6
SCHEMBL24476684 0.84 CYP1A2 (0.57) ALDH1A1HPGDTSHRLMNAIMPDH2
SCHEMBL30786950 0.83 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL28476112 0.82 TTR (0.63) CA12CA1CA2CA4CA6
SCHEMBL16960268 0.82 AR (0.50) ALDH1A1IMPDH2ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109295499-A With the preparation method for the Full color library of molecules that Ir (pbi) 2 (acac) is skeleton 四川大学 2019-02-01 — — CN claimed
EP-4695246-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES Syngenta Crop Protection AG (CH) 2026-02-18 — — EP disclosed
WO-2024213653-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-10-17 — — WO disclosed
CN-110997627-B Cyst amide derivatives 亥姆霍兹感染研究中心有限公司 2023-10-10 — — CN disclosed
US-20220213086-A1 AZOLE COMPOUNDS AS IRAK INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-07-07 — — US disclosed
US-20220213086-A1 AZOLE COMPOUNDS AS IRAK INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-07-07 — — US disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 — — US disclosed
EP-3672937-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-07-01 — — EP disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — US disclosed
CN-110997627-A Novel cystobacter amide derivatives 亥姆霍兹感染研究中心有限公司 2020-04-10 — — CN disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 — — US disclosed
EP-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 — — EP disclosed
US-7084135-B1 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2006-08-01 — — US disclosed
US-20060142275-A1 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2006-06-29 — — US disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 — — WO disclosed
EP-1140942-B1 PRENYL TRANSFERASE INHIBITORS CONSEILS DE RECH SET D APPLIC (FR) 2004-03-10 — — EP disclosed
EP-1382607-A2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-21 — — EP disclosed
EP-1140942-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-10 — — EP disclosed
WO-2000039130-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2000-07-06 — — WO disclosed
EP-0166609-A2 Aryl derivatives of heterobicyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-01-02 — — EP 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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 CA12 410/4885CA1 1863/4885CA2 644/4885
US-20060142275-A1 Prenyl transferase inhibitors FNTA, FNTB, RCE1 CA12 4191/4885CA1 4676/4885CA2 4073/4885
US-20220213086-A1 AZOLE COMPOUNDS AS IRAK INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF IRAK2, IRAK4, IRAK3 CA12 3625/4885CA1 3062/4885CA2 2698/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 CA12 428/4885CA1 1963/4885CA2 740/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 CA12 2549/4885CA1 2923/4885CA2 859/4885

“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.