SCHEMBL1123439

SCHEMBL1123439

CC(C)Cn1sc2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.67
KAT2A Q92830 2/20 0.61
KAT2B Q92831 2/20 0.61
FAAH O00519 2/20 0.56
MGLL Q99685 2/20 0.56
G6PD P11413 1/20 0.53

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
SCHEMBL29679134 1.00 CASP3 (0.67) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL11130291 0.87 CASP3 (0.63) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL29679182 0.83 CASP3 (0.63) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL3142380 0.83 CASP3 (0.63) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL7630656 0.83 CASP3 (0.68) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL3143600 0.80 CASP3 (1.00) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL29678965 0.80 CASP3 (1.00) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL15423262 0.80 FAAH (0.69) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL11278746 0.80 CASP3 (0.74) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL17948304 0.80 CASP3 (0.72) CASP3KAT2AKAT2BFAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022202958-A1 NON-AQUEOUS SECONDARY BATTERY POLYMER COMPOSITION AND NON-AQUEOUS SECONDARY BATTERY 旭化成株式会社 2022-09-29 WO disclosed
US-20210347756-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION 2021-11-11 US disclosed
US-11053236-B2 Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents THE UNIVERSITY OF TOLEDO (US) 2021-07-06 US disclosed
CN-113036132-A Polymer composition for nonaqueous secondary battery and nonaqueous secondary battery 旭化成株式会社 2021-06-25 CN disclosed
CN-113036133-A Polymer composition for nonaqueous secondary battery, and nonaqueous secondary battery 旭化成株式会社 2021-06-25 CN disclosed
US-11008334-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-18 US disclosed
US-10875837-B2 Inhibitors of the fibroblast growth factor receptor BLUEPRINT MEDICINES CORPORATION (US) 2020-12-29 US disclosed
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-13 US disclosed
US-20200109127-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION (US) 2020-04-09 US disclosed
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS THE UNIVERSITY OF TOLEDO (US) 2019-05-30 US disclosed
US-20050013794-A1 Composition and use ARCH UK BIOCIDES LIMITED (GB) 2005-01-20 US disclosed
US-20050014670-A1 Composition and use ARCH UK BIOCIDES 2005-01-20 US disclosed
US-20050009971-A1 Composition and use ARCH UK BIOCIDES 2005-01-13 US disclosed
US-20050008534-A1 Composition and use ARCH UK BIOCIDES 2005-01-13 US disclosed
WO-2004100666-A1 ANTIMICROBIAL COMPOSITION CONTAINING A POLYMERIC BIGUADINE AND A COPOLYMER AND USE THEREOF ARCH UK BIOCIDES LIMITED (GB) 2004-11-25 WO disclosed
WO-2004100663-A1 ANTIMICROBIAL COMPOPSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND THEIR USE THEREOF ARCH UK BIOCIDES LIMITED (GB) 2004-11-25 WO disclosed
WO-2004100664-A1 COMPOSITION COMPRISING AN ACIDIC COPOLYMER AND AN ANTIMICROBIAL AGENT AND USE THEREOF ARCH UK BIOCIDES LIMITED (GB) 2004-11-25 WO disclosed
WO-2004100665-A1 ANTIMICROBIAL COMPOSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND USE THEREOF ARCH UK BIOCIDES LIMITED (GB) 2004-11-25 WO disclosed
US-6005032-A PROTECTION OF THERMOP;ASTIC RESINS WITH FUNGICIDES ZENECA LIMITED (GB) 1999-12-21 US disclosed
EP-0804078-B1 COMPOSITION AND USE ZENECA LTD (GB) 1999-11-10 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 (9 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-20050008534-A1 Composition and use TST, TH, ARG1 CASP3 1852/4885KAT2A 2072/4885KAT2B 2182/4885
US-20200109127-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR FGFR4, FGFR1, FGFR2 CASP3 3617/4885KAT2A 3922/4885KAT2B 3223/4885
US-20210347756-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR FGFR4, FGFR1, FGFR2 CASP3 3617/4885KAT2A 3922/4885KAT2B 3223/4885
US-11053236-B2 Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents AIFM1, HSPE1, COX15 CASP3 10/4885KAT2A 2502/4885KAT2B 2305/4885
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS AIFM1, HSPE1, COX15 CASP3 10/4885KAT2A 2502/4885KAT2B 2305/4885
US-10875837-B2 Inhibitors of the fibroblast growth factor receptor FGFR4, FGFR1, FGFR2 CASP3 3617/4885KAT2A 3922/4885KAT2B 3223/4885
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CASP3 919/4885KAT2A 109/4885KAT2B 248/4885
US-11008334-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS CASP3 919/4885KAT2A 109/4885KAT2B 248/4885
US-20050013794-A1 Composition and use H1-0, ARG1, C5 CASP3 3347/4885KAT2A 2758/4885KAT2B 2553/4885

“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.