SCHEMBL3407341

SCHEMBL3407341

COC(=O)c1snc(-c2ccccc2)c1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.52
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 5/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
MAPK1 P28482 1/20 0.49
TP53 P04637 2/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
THRB P10828 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 2/20 0.46
PRKCZ Q05513 1/20 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
SCHEMBL3401345 0.92 PTGS1 (0.51) PTGS1GABRA1GABRG2GABRB3GABRA5
SCHEMBL3400588 0.92 TRPM8 (0.48) PTGS1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30852318 0.88 TRPM8 (0.45) PTGS1GABRA1GABRG2GABRB3GABRA5
SCHEMBL2343210 0.85 MAPT (0.48) MEN1KMT2ALMNATP53ALDH1A1
SCHEMBL3401735 0.84 PTGS1 (0.52) PTGS1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30852422 0.84 TRPM8 (0.49) PTGS1GABRA1GABRG2GABRB3GABRA5
SCHEMBL10999086 0.84 TRPM8 (0.52) PTGS1GABRA1GABRG2GABRB3GABRA5
SCHEMBL18720019 0.84 GRM1 (0.51) PTGS1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1226959 0.83 TRPM8 (0.48) PTGS1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1226967 0.83 ALDH1A1 (0.54) PTGS1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
EP-3148539-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2021-02-17 EP disclosed
EP-3148539-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2021-02-17 EP disclosed
US-10894776-B2 2021-01-19 US disclosed
US-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-29 US disclosed
US-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-29 US disclosed
US-10065948-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-09-04 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
US-20170101402-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-04-13 US disclosed
US-20110224241-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-09-15 US disclosed
US-20110224241-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-09-15 US disclosed
US-20100330199-A1 ISOTHIAZOLE-PYRIDINE DERIVATES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN, INC. 2010-12-30 US disclosed
EP-2252619-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY Fibrogen, Inc. (US) 2010-11-24 EP disclosed
WO-2010069877-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO disclosed
WO-2009089547-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN, INC. (US) 2009-07-16 WO disclosed
WO-2009007098-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-01-15 WO disclosed
US-4261728-A PREEMERGENT ACTIVITY MONSANTO COMPANY (US) 1981-04-14 US disclosed
US-4187099-A 3-Aryl-4-isothiazolecarboxylic acid and 3-aryl-4-isoxazolecarboxylic acid derivatives and their use as herbicides MONSANTO COMPANY (US) 1980-02-05 US disclosed
US-4144047-A SOYBEANS MONSANTO COMPANY (US) 1979-03-13 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 (8 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-10065948-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC6, HDAC5 PTGS1 2128/4885GABRA1 2656/4885GABRG2 2870/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 PTGS1 1583/4885GABRA1 2794/4885GABRG2 1974/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 PTGS1 1823/4885GABRA1 2914/4885GABRG2 2044/4885
US-20100330199-A1 ISOTHIAZOLE-PYRIDINE DERIVATES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY HIF1A, HIF1AN, EGLN3 PTGS1 133/4885GABRA1 2304/4885GABRG2 2609/4885
US-20110224241-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES AS FUNGICIDES NOX3, CBR3, NOS3 PTGS1 1529/4885GABRA1 1877/4885GABRG2 3083/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 PTGS1 1583/4885GABRA1 2794/4885GABRG2 1974/4885
US-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC2 PTGS1 2027/4885GABRA1 3191/4885GABRG2 3043/4885
US-20170101402-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC6, HDAC5 PTGS1 2128/4885GABRA1 2656/4885GABRG2 2870/4885

“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.