Sugi Predict

Sugi Predict / Compounds / SCHEMBL517538

SCHEMBL517538

SCHEMBL517538

COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ CA7 P43166 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ CA14 Q9ULX7 1/20 0.61
▸ POLB P06746 3/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ LMNA P02545 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ NR4A2 P43354 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45

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
SCHEMBL4627944 0.92 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL29445387 0.88 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL8564502 0.88 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL485070 0.88 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL7671969 0.88 CA12 (0.53) CA12CA1CA2CA7CA9
2-Mercaptoethanol SCHEMBL9661194 0.87 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL20822093 0.86 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL9637150 0.86 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL19418807 0.86 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL946028 0.86 LMNA (0.55) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177168-B1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2007-05-30 — — EP claimed
US-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 — — US claimed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 — — US claimed
EP-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 — — EP claimed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — WO claimed
US-20230399307-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE AMYGDALA NEUROSCIENCES, INC. (US) 2023-12-14 — — US disclosed
CN-114181076-A Preparation method of 2, 6-dihalogenated methyl benzoate 维思普新材料（苏州）有限公司 2022-03-15 — — CN disclosed
US-20210347727-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. 2021-11-11 — — US disclosed
CN-111057005-A Fluorene derivative and electronic device 苏州久显新材料有限公司 2020-04-24 — — CN disclosed
CN-111056959-A Fluorene derivative and electronic device 苏州久显新材料有限公司 2020-04-24 — — CN disclosed
CN-110694652-A Method for generating ester compound by catalytic oxidation of ether compound with visible light excited silver iodide and bismuth vanadate composite material 潍坊医学院 2020-01-17 — — CN disclosed
WO-2018057219-A1 METHOD OF ALLOCATING INDIVIDUAL OIL OR WATER PRODUCTION CONTRIBUTIONS FROM MULTIPLE COMBINED SOURCES SPECTRUM TRACER SERVICES, LLC (US) 2018-03-29 — — WO disclosed
EP-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 — — EP disclosed
EP-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 — — EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 — — EP disclosed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — WO disclosed
WO-1995025099-A1 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-09-21 — — WO disclosed
WO-1995025105-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 1995-09-21 — — WO disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 — — EP disclosed
US-4309566-A RETARDATION OR STIMULATION OF GROWTH OF BROAD LEAF PLANTS FMC CORPORATION (US) 1982-01-05 — — 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 (3 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-20210347727-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPN1, CAPNS1, CAPN2 CA12 1080/4885CA1 1245/4885CA2 273/4885
US-20230399307-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE ALDH1A1, ALDH2, ALDH3A1 CA12 1495/4885CA1 1635/4885CA2 2460/4885
US-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL CA12 921/4885CA1 399/4885CA2 674/4885

“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.