SCHEMBL4372497

SCHEMBL4372497

C#Cc1ccc2c(c1)C(SC)(SC)CCO2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.31
AKR1B10 O60218 1/20 0.30
MAPT P10636 1/20 0.30
AKR1A1 P14550 1/20 0.30

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
SCHEMBL8197285 0.85 AKR1B1 (0.33) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL7648928 0.85 MAP3K14 (0.35) AKR1B1
SCHEMBL7650875 0.82 MAP3K14 (0.31) AKR1B1
SCHEMBL4373679 0.82 APP (0.30)
SCHEMBL7656329 0.80
SCHEMBL6668910 0.80 RARA (0.45) AKR1B1
SCHEMBL7679751 0.79
SCHEMBL4373634 0.77 LMNA (0.42) MAPT
SCHEMBL9054289 0.77 MAPT (0.41) AKR1B1MAPT
SCHEMBL9817651 0.77 RARB (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592607-B Application of covalent organic framework material of supported rhodium catalyst in alkyne polymerization 北京理工大学 2023-06-20 CN claimed
CN-114702437-A Sonogashira coupling method of heteroaryl phosphonium salt and terminal alkyne 南京工业大学 2022-07-05 CN claimed
CN-111592607-B Application of covalent organic framework material of supported rhodium catalyst in alkyne polymerization 北京理工大学 2023-06-20 CN disclosed
CN-114702437-B Sonogashira coupling method for heteroaryl phosphonium salt and terminal alkyne 南京工业大学 2023-05-30 CN disclosed
CN-116102483-A Substituted pyrrole-2, 5-diketone compound and preparation method and application thereof 中国医学科学院药物研究所 2023-05-12 CN disclosed
CN-115974860-A Retinoid compound, preparation method and application thereof, and pharmaceutical composition containing compound 复旦大学附属中山医院 2023-04-18 CN disclosed
CN-115838382-A Synthesis method of beta-ketophosphoric oxide 惠州学院 2023-03-24 CN disclosed
CN-114702437-A Sonogashira coupling method of heteroaryl phosphonium salt and terminal alkyne 南京工业大学 2022-07-05 CN disclosed
CN-107176945-B Retinoid compound, preparation method, intermediate and application thereof 中国科学院上海有机化学研究所 2021-06-08 CN disclosed
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-09 US disclosed
US-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADMENY OF SCIENCES (CN) 2020-02-11 US disclosed
EP-0661258-B1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CIRD GALDERMA (FR) 1998-04-08 EP disclosed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed
US-5675033-A FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-10-07 US disclosed
US-5663367-A REGULATOR OF CELL PROLIFERATION AND DIFFERENTIATION; TREATMENT OF SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS ALLERGAN (US) 1997-09-02 US disclosed
US-5659042-A Method for preparing esters of halonicotinic acids ALLERGAN (US) 1997-08-19 US disclosed
EP-0788482-A1 METHOD FOR PREPARING ESTERS OF HALONICOTINIC ACIDS Allergan (US) 1997-08-13 EP disclosed
WO-1996039374-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-12-12 WO disclosed
WO-1996012701-A1 METHOD FOR PREPARING ESTERS OF HALONICOTINIC ACIDS ALLERGAN (US) 1996-05-02 WO disclosed
EP-0661258-A1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 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 (2 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-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof RARA, RARB, RARG AKR1B1 56/4885AKR1B10 97/4885MAPT 4836/4885
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF RARA, RARB, RARG AKR1B1 56/4885AKR1B10 97/4885MAPT 4836/4885

“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.