SCHEMBL5337380

SCHEMBL5337380

CC(C)(C)OC(=O)N(N)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.37
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
ALOX5 P09917 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RIPK1 Q13546 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
TSHR P16473 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PAX8 Q06710 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CES2 O00748 1/20 0.32

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
SCHEMBL1163820 0.82 PAX8 (0.41) GBA1ALDH1A1BCHEALOX5MAPT
SCHEMBL10627220 0.81 ALOX5 (0.38) GBA1ALDH1A1BCHEALOX5MAPT
SCHEMBL2007509 0.81 GBA1 (0.37) GBA1ALDH1A1BCHEALOX5MAPT
SCHEMBL28716135 0.78 USP30 (0.40) GBA1ALDH1A1ALOX5MAPTSMN1; SMN2
SCHEMBL28713807 0.77 GBA1 (0.35) GBA1ALDH1A1BCHEALOX5MAPT
SCHEMBL27843014 0.77 GSK3B (0.40) GBA1ALDH1A1SMN1; SMN2CHRM2CHRM1
SCHEMBL196445 0.77 HDAC1 (0.46) GBA1HDAC1HDAC2GPR119PAX8
SCHEMBL7278009 0.77 ALOX5 (0.35) GBA1ALDH1A1HDAC1HDAC2ALOX5
SCHEMBL1981228 0.76 GBA1 (0.36) GBA1ALDH1A1ALOX5TSHRCTSS
SCHEMBL7290370 0.76 GBA1 (0.36) GBA1ALDH1A1ALOX5TSHRCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 US disclosed
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 US disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2018-12-13 US disclosed
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
EP-2967067-B1 N-,C-DISUBSTITUTED AZOLES FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2017-11-29 EP disclosed
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 US disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 US disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 US disclosed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation BERGMANIS ARIJA A 2005-11-17 US disclosed
US-6956052-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-18 US disclosed
EP-1501805-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2005-02-02 EP disclosed
EP-1444207-A2 SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP disclosed
US-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORARTION 2004-06-10 US disclosed
WO-2003095430-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-11-20 WO disclosed
WO-2003024935-A2 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 WO 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 (7 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-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR GBA1 4742/4885ALDH1A1 4610/4885BCHE 3640/4885
US-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 GBA1 4084/4885ALDH1A1 897/4885BCHE 4019/4885
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR GBA1 4742/4885ALDH1A1 4610/4885BCHE 3640/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR GBA1 4742/4885ALDH1A1 4610/4885BCHE 3640/4885
US-20110028451-A1 Dihydrobenzoindazoles DHODH, BRDT, HSD17B11 GBA1 1211/4885ALDH1A1 54/4885BCHE 3759/4885
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR GBA1 4742/4885ALDH1A1 4610/4885BCHE 3640/4885
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 GBA1 4084/4885ALDH1A1 897/4885BCHE 4019/4885

“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.