Sugi Predict

Sugi Predict / Compounds / SCHEMBL1016807

SCHEMBL1016807

SCHEMBL1016807

CS(=O)(=O)c1ccc(C(=O)Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.59
▸ AVPR2 P30518 1/20 0.51
▸ GPR27 Q9NS67 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NCOA2 Q15596 1/20 0.50
▸ NCOA1 Q15788 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ GAA P10253 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMO Q99835 2/20 0.48
▸ PDK1 Q15118 1/20 0.48
▸ PDK2 Q15119 1/20 0.48
▸ PDK3 Q15120 1/20 0.48
▸ PDK4 Q16654 1/20 0.48

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
SCHEMBL28184683 0.86 AVPR2 (0.50) LMNAAVPR2GPR27USP28
SCHEMBL12724094 0.85 LMNA (0.59) LMNAAVPR2GPR27ALDH1A1MEN1
SCHEMBL403618 0.85 LMNA (0.74) LMNAAVPR2GPR27ALDH1A1MEN1
SCHEMBL1669579 0.85 LMNA (0.74) LMNAAVPR2GPR27ALDH1A1MEN1
SCHEMBL2894517 0.84 LMNA (0.57) LMNAAVPR2GPR27ALDH1A1MEN1
Hydrochloric Acid SCHEMBL9651756 0.84 LMNA (0.72) LMNAAVPR2GPR27ALDH1A1MEN1
SCHEMBL3163226 0.83 FLT1 (0.43) LMNAAVPR2GPR27MAPT
SCHEMBL11747324 0.83 ALDH1A1 (0.44) LMNAAVPR2GPR27ALDH1A1KMT2A
SCHEMBL8606102 0.82 ALDH1A1 (0.48) LMNAALDH1A1
Methane SCHEMBL27392331 0.81 ALDH1A1 (0.43) LMNAAVPR2GPR27ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111056994-B Preparation method of vismodegib 新发药业有限公司 2021-08-17 — — CN claimed
CN-111056994-A Preparation method of vismodegib 新发药业有限公司 2020-04-24 — — CN claimed
CN-107200708-B Preparation method of vismodegib 新发药业有限公司 2020-03-20 — — CN claimed
CN-110590649-A Preparation method of vismodegib and intermediate thereof 山东大学 2019-12-20 — — CN claimed
US-10343998-B2 Synthetic path to pharmaceutically acceptable Vismodegib AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2019-07-09 — — US claimed
CN-108774159-A A kind of preparation method of benzobicylon working substance 蚌埠中实化学技术有限公司 2018-11-09 — — CN claimed
EP-3381900-A1 NEW SYNTHETIC PATH TO PHARMACEUTICALLY ACCEPTABLE VISMODEGIB AZAD Pharmaceutical Ingredients AG (CH) 2018-10-03 — — EP claimed
US-20180273477-A1 Synthetic Path To Pharmaceutically Acceptable Vismodegib AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2018-09-27 — — US claimed
CN-105693569-A Synthesis method of 3-[4-(methyl sulfonyl)-2-chlorobenzoyl]bicyclo[3.2.1]-2.4-octanedione 江苏理工学院 2016-06-22 — — CN claimed
CN-104496889-A Industrialized synthetic method of vismodegib CHENGDU PING HE AN KANG PHARMACEUTICAL CO LTD 2015-04-08 — — CN claimed
CN-100537530-C Synthesis process of sulcoatrione UNIV ZHEJIANG POLYTECHNIC (CN) 2009-09-09 — — CN claimed
CN-101066944-A Synthesis process of sulcoatrione UNIV ZHEJIANG POLYTECHNIC (CN) 2007-11-07 — — CN claimed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 — — US disclosed
CN-117384087-A Synthesis method of 2-chloro-N- [4-chloro-3- (2-pyridyl) phenyl ] -4- (methylsulfonyl) benzamide 南京大学 2024-01-12 — — CN disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 — — US disclosed
WO-2023140809-A1 NOVEL POLYMORPH OF VISMODEGIB AND METHOD OF PREPARATION DEVA HOLDING (TR) 2023-07-27 — — WO disclosed
EP-0264859-A2 2-(2-substituted benzoyl)-4-(substituted)-1,3-cyclohexanediones, a process for their production and a herbicidal composition containing them STAUFFER CHEMICAL COMPANY (US) 1988-04-27 — — EP disclosed
EP-0249813-A1 Certain substituted 3-amino-2-benzoylcyclohex-2-enones STAUFFER CHEMICAL COMPANY (US) 1987-12-23 — — EP disclosed
EP-0249150-A1 Certain 3-(substituted thio)-2-benzoyl-cyclohex-2-enones STAUFFER CHEMICAL COMPANY (US) 1987-12-16 — — EP disclosed
EP-0203428-A1 Herbicidal 4-benzoyl-1-alkyl(alkenyl)-pyrazoles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-12-03 — — 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 (4 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-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO LMNA 3716/4885AVPR2 4645/4885GPR27 1145/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO LMNA 3718/4885AVPR2 4673/4885GPR27 1259/4885
US-10343998-B2 Synthetic path to pharmaceutically acceptable Vismodegib EGFR, SMO, ERBB2 LMNA 3573/4885AVPR2 1894/4885GPR27 720/4885
US-20180273477-A1 Synthetic Path To Pharmaceutically Acceptable Vismodegib EGFR, SMO, ERBB2 LMNA 3573/4885AVPR2 1894/4885GPR27 720/4885

“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.