SCHEMBL19006263

SCHEMBL19006263

CCOC(=O)C(C)(C)Cc1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
GPR119 Q8TDV5 1/20 0.44
RECQL P46063 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAOB P27338 2/20 0.41
TP53 P04637 1/20 0.41
IDO1 P14902 2/20 0.41
CTBP2 P56545 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL19006262 0.88 MMP8 (0.48) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL21294047 0.88 MMP8 (0.48) MMP8PPARAPPARGALDH1A1MAPT
SCHEMBL9632278 0.88 MMP8 (0.58) MMP8PPARAPPARGKMT2AALDH1A1
SCHEMBL17106362 0.86 MAOB (0.42) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL10237568 0.85 RIPK1 (0.50) MMP8PPARAPPARGALDH1A1MAPT
SCHEMBL6260653 0.85 PPARA (0.54) MMP8PPARAPPARGKMT2AALDH1A1
SCHEMBL18982870 0.85 MMP8 (0.46) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL186711 0.85 CYP4F2 (0.46) MMP8PPARAPPARGKMT2AALDH1A1
SCHEMBL12802501 0.84 PPARA (0.53) PPARAPPARGKMT2AALDH1A1MAPT
SCHEMBL1492859 0.83 MMP8 (0.65) MMP8ALDH1A1LMNAMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394067-B1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-10428076-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2019-10-01 US disclosed
WO-2017107052-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
WO-2017112617-A1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 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 (2 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-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A MMP8 3110/4885PPARA 2668/4885PPARG 704/4885
US-10428076-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A MMP8 3110/4885PPARA 2668/4885PPARG 704/4885

“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.