SCHEMBL358028

SCHEMBL358028

COc1[c]ccc(S(C)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
PTGS2 P35354 7/20 0.37
PTGS1 P23219 3/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
G6PD P11413 1/20 0.34
IDE P14735 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL7045277 0.83 ALDH1A1 (0.36) SMN1; SMN2LMNAALDH1A1POLBTSHR
SCHEMBL26688580 0.81 PSIP1 (0.39) SMN1; SMN2ALDH1A1
SCHEMBL8134166 0.80 TXNRD1 (0.32) POLBTSHRMAPK1
SCHEMBL3305889 0.80 MAPT (0.49) SMN1; SMN2LMNAALDH1A1POLBTSHR
SCHEMBL28826106 0.79 PTGS2 (0.37) SMN1; SMN2PTGS2PTGS1LMNA
SCHEMBL7476629 0.79 ALDH1A1 (0.42) SMN1; SMN2LMNAALDH1A1POLB
SCHEMBL1448262 0.78 SMN1; SMN2 (0.37) SMN1; SMN2PTGS2LMNAALDH1A1G6PD
SCHEMBL8129522 0.76 MMP13 (0.38)
SCHEMBL28247559 0.76 ALDH1A1 (0.54) SMN1; SMN2LMNAALDH1A1POLBTSHR
SCHEMBL7311145 0.74 HPGD (0.40) SMN1; SMN2LMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US claimed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US claimed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US claimed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US claimed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US claimed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
CN-117986235-A P53-Y220C selective small molecule reactivation agent compound, pharmaceutical composition and application thereof 长春金赛药业有限责任公司 2024-05-07 CN disclosed
WO-2023225477-A2 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
CN-115003299-A Methods and compounds for restoring function of mutant p53 皮姆维制药公司 2022-09-02 CN disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-0763524-A1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO COMPANY LIMITED (JP) 1997-03-19 EP disclosed
US-4670445-A VASODILATORS ELI LILLY AND COMPANY (US) 1987-06-02 US disclosed
EP-0113236-B1 SUBSTITUTED IMIDAZOPYRIMIDINES-PYRAZINES, AND -TRIAZINES ELI LILLY AND COMPANY (US) 1987-04-22 EP disclosed
US-4636502-A Methods of producing a positive inotropic effect or vasodilation by administration of 2-phenyl imidazo pyrimidines and pyrazines ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4578387-A VASODILATION; DERIVATIVES OF 2-PHENYL-5,6,7,8-TETRAHYDROIMADAZO/1,2-A/PYRAZINE ELI LILLY AND COMPANY (US) 1986-03-25 US disclosed
US-4537889-A PHENYL SUBSTITUTED IMIDAZO COMPOUNDS ELI LILLY AND COMPANY (US) 1985-08-27 US disclosed
EP-0113236-A1 Substituted imidazopyrimidines-pyrazines, and -triazines ELI LILLY AND COMPANY (US) 1984-07-11 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 (5 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 SMN1; SMN2 1363/4885PTGS2 3746/4885PTGS1 2755/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 SMN1; SMN2 1363/4885PTGS2 3746/4885PTGS1 2755/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 SMN1; SMN2 1363/4885PTGS2 3746/4885PTGS1 2755/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 SMN1; SMN2 1363/4885PTGS2 3746/4885PTGS1 2755/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 SMN1; SMN2 1363/4885PTGS2 3746/4885PTGS1 2755/4885

“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.