Sugi Predict

Sugi Predict / Compounds / SCHEMBL3673783

SCHEMBL3673783

SCHEMBL3673783

Clc1ccccc1CSCc1ccccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.69
▸ CYP2C19 P33261 5/20 0.69
▸ CYP3A4 P08684 4/20 0.69
▸ CYP2C9 P11712 4/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ TSHR P16473 1/20 0.58
▸ IDO1 P14902 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ TAAR1 Q96RJ0 3/20 0.55
▸ HTT P42858 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ PNMT P11086 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL4753818 0.86 CYP1A2 (0.60) CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL13938761 0.86 CYP1A2 (0.71) CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL10679360 0.86 CYP1A2 (0.60) CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL1149876 0.84 CYP1A2 (0.57) CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL10952426 0.83 CYP1A2 (1.00) CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL10730183 0.83 CYP1A2 (0.67) CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL4737606 0.81 CYP1A2 (0.55) CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL11700752 0.81 CYP1A2 (0.96) CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL22430855 0.80 IDO1 (0.56) CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL9976780 0.80 CYP1A2 (0.53) CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108046977-B Method for selectively producing dichloro-p-xylene 江苏扬农化工集团有限公司 2020-12-18 — — CN claimed
CN-112321469-B Synthetic method of dibenzyl sulfide 成都理工大学 2022-07-12 — — CN disclosed
CN-110903227-B Nitroguanidine compound and preparation and application thereof 上海工程技术大学 2021-09-10 — — CN disclosed
CN-112321469-A Synthetic method of dibenzyl sulfide 成都理工大学 2021-02-05 — — CN disclosed
CN-108046977-B Method for selectively producing dichloro-p-xylene 江苏扬农化工集团有限公司 2020-12-18 — — CN disclosed
CN-110903227-A Nitroguanidine compound and preparation and application thereof 上海工程技术大学 2020-03-24 — — CN disclosed
EP-1223923-B1 UNSATURATED ARYL SULFONES FOR PROTECTING NORMAL CELLS FROM CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS UNIV TEMPLE (US) 2010-03-31 — — EP disclosed
US-7595347-B2 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents Temple University—Of the Commonwealth System of Higher Education (US) 2009-09-29 — — US disclosed
EP-1223923-A4 METHOD FOR PROTECTING NORMAL CELLS FROM CYTOTOXICITY OF CHEMOTHERAPEUTIC AGENTS UNIV TEMPLE (US) 2007-09-05 — — EP disclosed
US-20040214903-A1 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents COSENZA STEPHEN C (US) 2004-10-28 — — US disclosed
WO-2000057872-A1 Z-STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-10-05 — — WO disclosed
US-4505860-A Cyclic keto-butyraldehydes a process for their preparation, and their use in the preparation of cyclic diisocyanates BAYER AKTIENGESELLSCHAFT (DE) 1985-03-19 — — US disclosed
EP-0100479-B1 3-(AMINOMETHYL)-1-(3-AMINOPROPYL-1-METHYL)-4-METHYL CYCLOHEXANE, PROCESS FOR ITS PREPARATION AND ITS USE BAYER AG (DE) 1985-03-13 — — EP disclosed
US-4487966-A 3-Aminomethyl-1-(3-aminopropyl-1-methyl)-4-methylcyclohexane, a process for its preparation and its use BAYER AKTIENGESELLSCHAFT (DE) 1984-12-11 — — US disclosed
EP-0074561-B1 CYCLIC CETO-BUTYRALDEHYDES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF CYCLIC DIISOCYANATES BAYER AG (DE) 1984-11-21 — — EP disclosed
EP-0100479-A1 3-(Aminomethyl)-1-(3-aminopropyl-1-methyl)-4-methyl cyclohexane, process for its preparation and its use BAYER AG (DE) 1984-02-15 — — EP disclosed
EP-0074561-A2 Cyclic ceto-butyraldehydes, process for their preparation and their use in the preparation of cyclic diisocyanates BAYER AG (DE) 1983-03-23 — — EP disclosed
EP-0008763-B1 AMINOMETHYL-CYCLODODECANES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTICORROSIVES BAYER AG (DE) 1981-04-01 — — EP disclosed
US-4251462-A REACTING 1,5,9-CYCLODODECATRIENE WITH CARBON MONOXIDE AND HYDROGEN, REMOVING CATALYST, REACTING WITH HYDROGEN AND AMMONIA BAYER AKTIENGESELLSCHAFT (DE) 1981-02-17 — — US disclosed
EP-0008763-A1 Aminomethyl-cyclododecanes, a process for their preparation and their use as anticorrosives BAYER AG (DE) 1980-03-19 — — 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 (1 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-20040214903-A1 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents TOP1, TOP2A, PCNA CYP1A2 1080/4885CYP2C19 1200/4885CYP3A4 1739/4885

“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.