SCHEMBL1811684

SCHEMBL1811684

CN(Cc1ccc[c]n1)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30

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
SCHEMBL1811443 0.78 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL12169652 0.72 KMT2A (0.54) USP2SMN1; SMN2HSD17B10KDM4ECYP1A2
SCHEMBL17804219 0.70 SMN1; SMN2 (0.42) USP2SMN1; SMN2HSD17B10KDM4ECYP1A2
SCHEMBL27852503 0.69 TSHR (0.39) USP2SMN1; SMN2HSD17B10KDM4ECYP1A2
SCHEMBL5487333 0.66 ALDH1A1 (0.38) USP2SMN1; SMN2HSD17B10KDM4ECYP1A2
SCHEMBL12169765 0.66 USP2 (0.51) USP2SMN1; SMN2HSD17B10KDM4ECYP1A2
SCHEMBL28094321 0.66 SMN1; SMN2 (0.41) USP2SMN1; SMN2HSD17B10KDM4ECYP1A2
SCHEMBL8893563 0.65 LOX (0.32)
SCHEMBL2057187 0.65 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TSHR
SCHEMBL13466370 0.64 ALDH1A1 (0.40) USP2SMN1; SMN2HSD17B10KDM4ECYP1A2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-8791125-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2014-07-29 US disclosed
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES SAGARA TAKESHI 2011-08-04 US disclosed
US-7935708-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2011-05-03 US disclosed
US-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
EP-2016080-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2010-07-28 EP disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
EP-2016080-A4 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-05-13 EP disclosed
CN-101432284-A Dihydropyrazolopyrimidinone derivative BANYU PHARMA CO LTD (JP) 2009-05-13 CN disclosed
EP-2016080-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
WO-2007126122-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-11-08 WO disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 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 (4 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-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 USP2 2983/4885SMN1; SMN2 3943/4885HSD17B10 3046/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 USP2 2983/4885SMN1; SMN2 3943/4885HSD17B10 3046/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 USP2 2983/4885SMN1; SMN2 3943/4885HSD17B10 3046/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 USP2 2983/4885SMN1; SMN2 3943/4885HSD17B10 3046/4885

“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.