SCHEMBL435577

SCHEMBL435577

Cc1ccc2[nH]c(=O)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.59
PDE3A Q14432 3/20 0.59
ALDH1A1 P00352 2/20 0.56
PKM P14618 1/20 0.56
PGR P06401 2/20 0.49
CMA1 P23946 1/20 0.48
TP53 P04637 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
NOS1 P29475 1/20 0.44
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.42
KIF11 P52732 1/20 0.42
DAO P14920 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8286761 0.86 CMA1 (0.61) PDE3BPDE3AALDH1A1PKMPGR
SCHEMBL9484426 0.85 PDE3B (0.68) PDE3BPDE3AALDH1A1PKMPGR
SCHEMBL9686038 0.84 ALDH1A1 (0.51) PDE3BPDE3AALDH1A1PKMPGR
SCHEMBL9484422 0.79 ALDH1A1 (0.50) PDE3BPDE3AALDH1A1PKMPGR
SCHEMBL9204486 0.79 MAPT (0.59) PDE3BPDE3AALDH1A1PKMPGR
SCHEMBL11344106 0.77 PDE3B (0.52) PDE3BPDE3AALDH1A1PKMPGR
SCHEMBL7257829 0.76 ESR1 (0.46) PDE3BPDE3AALDH1A1PKMPGR
SCHEMBL9684901 0.76 PDE3B (0.51) PDE3BPDE3APGRCMA1MAPT
SCHEMBL7709830 0.75 PDE3B (0.55) PDE3BPDE3AALDH1A1PKMPGR
SCHEMBL20106905 0.75 PDE3B (0.55) PDE3BPDE3AALDH1A1PKMPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0022213-A1 Medicaments containing benzothiazole-2(3H)-one derivatives Dr. Karl Thomae GmbH (DE) 1981-01-14 EP claimed
US-20240294482-A1 METHOD FOR CATALYTICALLY ACTIVATING CARBON DIOXIDE AS CARBONYLATION REAGENT WITH INORGANIC SULFUR INNER MONGOLIA UNIVERSITY OF TECHNOLOGY (CN) 2024-09-05 US disclosed
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 WO disclosed
EP-3875151-B1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO [4.3.1] DECANE DERIVATES FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2023-09-20 EP disclosed
CN-116745273-A Method for catalyzing and activating carbon dioxide by using inorganic sulfur as carbonylation reagent 内蒙古工业大学 2023-09-12 CN disclosed
US-20230126391-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS Technische Universität Darmstadt (DE) 2023-04-27 US disclosed
US-20230126391-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS Technische Universität Darmstadt (DE) 2023-04-27 US disclosed
WO-2022135355-A1 METHOD FOR CATALYTICALLY ACTIVATING CARBON DIOXIDE AS CARBONYLATION REAGENT WITH INORGANIC SULFUR 内蒙古工业大学 2022-06-30 WO disclosed
WO-2022135355-A1 METHOD FOR CATALYTICALLY ACTIVATING CARBON DIOXIDE AS CARBONYLATION REAGENT WITH INORGANIC SULFUR 内蒙古工业大学 2022-06-30 WO disclosed
CN-114644603-A Method for catalytically activating carbon dioxide as carbonylation reagent by using inorganic sulfur 内蒙古工业大学 2022-06-21 CN disclosed
EP-1043319-A1 NOVEL ALKYLAMINO DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-10-11 EP disclosed
EP-0462831-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1996-02-28 EP disclosed
US-5462953-A Benzoxazolyl derivatives useful as 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-10-31 US disclosed
US-5364877-A Antiinflammatory agents, antiallergens ICI PHARMA (GB) 1994-11-15 US disclosed
US-5278177-A Enzyme inhibitory IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-11 US disclosed
US-5179115-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-12 US disclosed
EP-0462831-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed
US-4328235-A SUPPRESSION OF PAIN BOEHRINGER INGELHEIM GMBH (DE) 1982-05-04 US disclosed
EP-0003035-B1 PROCESS FOR THE PREPARATION OF POLYMERS OF VINYL CHLORIDE AND REACTOR FOR CARRYING OUT THE PROCESS HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-24 EP disclosed
EP-0022213-A1 Medicaments containing benzothiazole-2(3H)-one derivatives Dr. Karl Thomae GmbH (DE) 1981-01-14 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-20240294482-A1 METHOD FOR CATALYTICALLY ACTIVATING CARBON DIOXIDE AS CARBONYLATION REAGENT WITH INORGANIC SULFUR TST, CBR3, SMOX PDE3B 4085/4885PDE3A 4059/4885ALDH1A1 639/4885
US-20230126391-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP8, FKBP2, FKBP1A PDE3B 3855/4885PDE3A 2791/4885ALDH1A1 4332/4885

“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.