Sugi Predict

Sugi Predict / Compounds / SCHEMBL776647

SCHEMBL776647

SCHEMBL776647

c1ccc(SCCSc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 1.00
▸ MAPK1 P28482 1/20 1.00
▸ CYP1A2 P05177 3/20 0.54
▸ CYP2D6 P10635 3/20 0.54
▸ CYP2C19 P33261 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ FFAR1 O14842 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MGLL Q99685 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MTNR1A P48039 1/20 0.50
▸ MTNR1B P49286 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50

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
SCHEMBL1931125 0.88 ALDH1A1 (0.78) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL420011 0.88 ALDH1A1 (0.78) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL5143403 0.87 ALDH1A1 (0.75) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL5169003 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL5167895 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL14117855 0.84 ALDH1A1 (0.71) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
Carbon Monoxide SCHEMBL9988779 0.84 ALDH1A1 (0.71) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL5171094 0.84 ALDH1A1 (0.71) ALDH1A1MAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL10407467 0.84 ALDH1A1 (0.71) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL575835 0.83 ALDH1A1 (0.70) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130482-A1 Process for preparing armatic thiophenyl ketones PRETOR ROGER 2011-06-02 — — US claimed
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 — — EP claimed
EP-0150587-B1 PREPARATION OF CHLOROBENZOTRIFLUORIDE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-02-03 — — EP claimed
EP-0150587-A2 Preparation of chlorobenzotrifluoride compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-08-07 — — EP claimed
JP-62132674-A — — None — — JP disclosed
US-20250331405-A1 DISPLAY DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2025-10-23 — — US disclosed
CN-114685331-B Process for producing 1, 2-dithioethane compound 华南理工大学 2024-07-09 — — CN disclosed
CN-117567331-A Synthesis method of 1, 2-dithioethane compound and 1, 4-dithiane 河北北方学院 2024-02-20 — — CN disclosed
US-11872206-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2024-01-16 — — US disclosed
US-11617735-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-04-04 — — US disclosed
US-11576890-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-02-14 — — US disclosed
US-11559509-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-01-24 — — US disclosed
EP-0150587-B1 PREPARATION OF CHLOROBENZOTRIFLUORIDE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-02-03 — — EP disclosed
JP-S62132674-A RECORDING MATERIAL FUJI PHOTO FILM CO LTD 1987-06-15 — — JP disclosed
EP-0222343-A2 Recording material FUJI PHOTO FILM CO., LTD. (JP) 1987-05-20 — — EP disclosed
EP-0150587-A2 Preparation of chlorobenzotrifluoride compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-08-07 — — EP disclosed
US-4308403-A FROM HYDROGEN, CARBON MONOXIDE, ALDEHYDE, ALCOHOL; COBALT COORDINATION CATALYST TEXACO INC. (US) 1981-12-29 — — US disclosed
US-4056480-A DI-PHOSPHATES OR PHOSPHORAMIDATES MONSANTO COMPANY (US) 1977-11-01 — — US disclosed
US-3984340-A POLYESTER EPOXIDES MCDONNELL DOUGLAS CORPORATION (US) 1976-10-05 — — US disclosed
US-3983046-A Functional fluid compositions containing epoxy additives MCDONNELL DOUGLAS CORPORATION (US) 1976-09-28 — — 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 (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-11872206-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 ALDH1A1 2666/4885MAPK1 3214/4885CYP1A2 273/4885
US-20110130482-A1 Process for preparing armatic thiophenyl ketones ACOT7, AGPAT2, COASY ALDH1A1 1816/4885MAPK1 3795/4885CYP1A2 585/4885
US-11617735-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 ALDH1A1 2666/4885MAPK1 3214/4885CYP1A2 273/4885
US-11559509-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 ALDH1A1 2666/4885MAPK1 3214/4885CYP1A2 273/4885
US-11576890-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 ALDH1A1 2666/4885MAPK1 3214/4885CYP1A2 273/4885

“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.