Sugi Predict

Sugi Predict / Compounds / SCHEMBL3247012

SCHEMBL3247012

SCHEMBL3247012

N#CCS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PSEN1 P49768 1/20 0.47
▸ PSEN2 P49810 1/20 0.47
▸ APH1B Q8WW43 1/20 0.47
▸ NCSTN Q92542 1/20 0.47
▸ APH1A Q96BI3 1/20 0.47
▸ PSENEN Q9NZ42 1/20 0.47
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA3 P07451 2/20 0.46
▸ CA4 P22748 2/20 0.46
▸ CA6 P23280 2/20 0.46
▸ CA5A P35218 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA13 Q8N1Q1 2/20 0.46

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
SCHEMBL10826109 0.82 ALDH1A1 (0.54) ALDH1A1NPC1CYP3A4MAPK1PSEN1
SCHEMBL16591746 0.82 TP53 (0.57) ALDH1A1NPC1CYP3A4MAPK1CA1
SCHEMBL3242209 0.81 SOD1 (0.43) ALDH1A1NPC1CYP3A4MAPK1PSEN1
SCHEMBL5745307 0.81 GAA (0.55) ALDH1A1CYP3A4CA1CA2CA12
SCHEMBL22057007 0.81 MAPT (0.53) ALDH1A1CA1CA2CA12CA9
SCHEMBL1169954 0.81 ALDH1A1 (0.55) ALDH1A1NPC1CYP3A4MAPK1CA1
SCHEMBL2320786 0.81 PSEN1 (0.46) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL4074745 0.81 ENPP2 (0.45) TP53
SCHEMBL4079205 0.81 F2 (0.41) CA1CA2CA12CA9F2
SCHEMBL3195077 0.81 PLCG1 (0.59) CYP3A4CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117209400-B 3-Nitrogen mustard-2-sulfonyl acrylonitrile derivative with anti-tumor activity and preparation method and application thereof 广东海洋大学 2024-04-26 — — CN claimed
CN-116675663-A Preparation method of coumarin compound and application of coumarin compound in neuroprotection 兰州交通大学 2023-09-01 — — CN claimed
US-12410164-B2 Heterocyclic compounds and medical use thereof FONDAZIONE TELETHON (IT) 2025-09-09 — — US disclosed
CN-117209400-B 3-Nitrogen mustard-2-sulfonyl acrylonitrile derivative with anti-tumor activity and preparation method and application thereof 广东海洋大学 2024-04-26 — — CN disclosed
CN-117209400-A 3-nitrogen mustard-2-sulfonyl acrylonitrile derivative with anti-tumor activity and preparation method and application thereof 广东海洋大学 2023-12-12 — — CN disclosed
CN-116768814-A Synthesis method of 4-sulfonyl-2, 5-bis (trifluoromethyl) oxazole compound 闽江学院 2023-09-19 — — CN disclosed
US-20220002295-A1 HETEROCYCLIC COMPOUNDS AND MEDICAL USE THEREOF FONDAZIONE TELETHON (IT) 2022-01-06 — — US disclosed
EP-3883931-A1 HETEROCYCLIC COMPOUNDS AND MEDICAL USE THEREOF Fondazione Telethon (IT) 2021-09-29 — — EP disclosed
CN-110183379-B Synthesis method and application of copper-catalyzed one-pot method for preparing C-4-sulfonyl substituted isoquinolone compounds 青岛科技大学 2021-02-05 — — CN disclosed
CN-106488919-B 3-substituted 2-aminoindole derivatives 武田药品工业株式会社 2018-10-23 — — CN disclosed
US-10059713-B2 3-substituted 2-amino-indole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-28 — — US disclosed
US-4277485-A INHIBITORS OF GASTRIC ACID SECRETION SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-07-07 — — US disclosed
US-4221737-A ANTIULCER BRISTOL-MYERS COMPANY (US) 1980-09-09 — — US disclosed
US-4220652-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-02 — — US disclosed
US-4200760-A ANTIULCER, H2-RECEPTOR BLOCKING AGENTS BRISTOL-MYERS COMPANY (US) 1980-04-29 — — US disclosed
US-4153704-A HETEROCYCLIC-ALKYL-AMINO SUBSTITUTED, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-08 — — US disclosed
US-4148801-A 3-[(Chlorophenylsulfonyl)methyl]-1,2,4-oxadiazole-5-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1979-04-10 — — US disclosed
US-4124717-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-11-07 — — US disclosed
US-4067984-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-10 — — US disclosed
US-4024260-A INHIBITS H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 — — 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-10059713-B2 3-substituted 2-amino-indole derivatives NPY5R, XDH, NPY4R ALDH1A1 1979/4885NPC1 3211/4885CYP3A4 46/4885
US-20220002295-A1 HETEROCYCLIC COMPOUNDS AND MEDICAL USE THEREOF NPPA, NPR1, CYC1 ALDH1A1 2994/4885NPC1 1984/4885CYP3A4 289/4885
US-12410164-B2 Heterocyclic compounds and medical use thereof NPPA, NPR1, CYC1 ALDH1A1 2994/4885NPC1 1984/4885CYP3A4 289/4885

“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.