Sugi Predict

Sugi Predict / Compounds / SCHEMBL1228518

SCHEMBL1228518

SCHEMBL1228518

CCOC(=O)c1csc(C2CCNCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2A Q9UIF9 2/20 0.52
▸ RAB9A P51151 6/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GAA P10253 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ PLAT P00750 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.43

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
Bromide SCHEMBL5061856 0.99 BAZ2A (0.51) BAZ2ARAB9ANPC1MAPTALDH1A1
Hydrochloric Acid SCHEMBL1119928 0.99 RAB9A (0.53) BAZ2ARAB9ANPC1MAPTALDH1A1
SCHEMBL2142237 0.90 RAB9A (0.57) RAB9ANPC1MAPTALDH1A1MEN1
Tert-Butyl Formate SCHEMBL27649859 0.89 BAZ2A (0.46) BAZ2ARAB9ANPC1MAPTALDH1A1
SCHEMBL2142696 0.88 SMN1; SMN2 (0.56) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL1245930 0.88 SMN1; SMN2 (0.60) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL996638 0.86 SMN1; SMN2 (0.62) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL17885697 0.85 RAB9A (0.52) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL3435708 0.85 RAB9A (0.52) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL31705780 0.85 PLAT (0.45) BAZ2AMAPTMEN1KMT2ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098738-A1 COMPOUND CONTAINING OXADIAZOLE STRUCTURE AND PREPARATION METHOD THEREFOR AND USE THEREOF, AND FUNGICIDE 江苏中旗科技股份有限公司 2023-06-08 — — WO disclosed
US-20230031192-A1 NOVEL SUBSTITUTED 6- MEMBERED HETEROARYL PIPERIDINYL ETHANONES PI INDUSTRIES LTD. (IN) 2023-02-02 — — US disclosed
EP-2643312-B1 MICROBICIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2014-09-10 — — EP disclosed
US-20140243371-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-08-28 — — US disclosed
EP-2768828-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES Syngenta Participations AG (CH) 2014-08-27 — — EP disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 — — EP disclosed
CN-103889980-A Microbiocidal pyrazole derivatives SYNGENTA PARTICIPATIONS AG 2014-06-25 — — CN disclosed
US-8748431-B2 Microbicidal heterocycles SYNGENTA PARTICIPATIONS AG (CH) 2014-06-10 — — US disclosed
EP-2673272-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES Syngenta Participations AG (CH) 2013-12-18 — — EP disclosed
US-20130324544-A1 MICROBICIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2013-12-05 — — US disclosed
US-20070043083-A1 Thiazolyl piperidine derivatives HOFFMANN-LA ROCHE INC. 2007-02-22 — — US disclosed
WO-2007020213-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 — — WO disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 — — EP disclosed
EP-1735622-A2 MODULATORS OF HUMAN G PROTEIN-COUPLED RECEPTORS FOR THE TREATMENT OF HYPERGLYCEMIA AND RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2006-12-27 — — EP disclosed
US-20060135501-A1 Piperidinyl-thiazole carboxylic acid derivatives as angiogenesis inhibitors DSPI LIMITED (GB) 2006-06-22 — — US disclosed
WO-2005116653-A2 MODULATORS OF HUMAN G PROTEIN-COUPLED RECEPTORS FOR THE TREATMENT OF HYPERGLYCEMIA AND RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2005-12-08 — — WO disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 — — WO disclosed
EP-1581528-A1 PIPERIDINYL-THIAZOLE CARBOXYLIC ACID DERIVATIVES AS ANGIOGENESIS INHIBITORS Metris Therapeutics Limited (GB) 2005-10-05 — — EP disclosed
WO-2004058750-A1 PIPERIDINYL-THIAZOLE CARBOXYLIC ACID DERIVATIVES AS ANGIOGENESIS INHIBITORS METRIS THERAPEUTICS LIMITED (GB) 2004-07-15 — — WO disclosed
WO-2004058751-A1 PIPERIDINYL-THIAZOLE CARBOXAMIDE DERIVATIVES FOR ALTERING VASCULAR TONE METRIS THERAPEUTICS LIMITED (GB) 2004-07-15 — — 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 (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-20130324544-A1 MICROBICIDAL HETEROCYCLES CYP1A1, CYP1B1, CYP51A1 BAZ2A 4287/4885RAB9A 2207/4885NPC1 941/4885
US-20070043083-A1 Thiazolyl piperidine derivatives HRH3, HRH4, H1-3 BAZ2A 445/4885RAB9A 2477/4885NPC1 807/4885
US-20230031192-A1 NOVEL SUBSTITUTED 6- MEMBERED HETEROARYL PIPERIDINYL ETHANONES CCNK, CYP1B1, CYP1A1 BAZ2A 1144/4885RAB9A 1988/4885NPC1 1371/4885
US-20140243371-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES ARG1, ARG2, NOX3 BAZ2A 3586/4885RAB9A 499/4885NPC1 2046/4885
US-20060135501-A1 Piperidinyl-thiazole carboxylic acid derivatives as angiogenesis inhibitors PGF, FLT1, VEGFA BAZ2A 3267/4885RAB9A 3239/4885NPC1 2946/4885

“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.