SCHEMBL19006415

SCHEMBL19006415

CCOC(=O)C(C)(c1ccc(/C=C/C(=O)OC)cc1)C(C#N)C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ TYR P14679 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ TTR P02766 2/20 0.39
▸ DPP4 P27487 1/20 0.39

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
SCHEMBL18982146 0.88 CYP1A2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL21413156 0.82 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL22702433 0.80 CNR2 (0.42) ALDH1A1SMN1; SMN2CYP1A2NPSR1CYP3A4
SCHEMBL18982556 0.78 CNR2 (0.44) L3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17318022 0.78 MAPT (0.42) L3MBTL1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL18982613 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL16807989 0.78 CNR2 (0.36) SMN1; SMN2LMNACYP1A2CYP3A4GAA
SCHEMBL16796000 0.78 ABCB11 (0.50) L3MBTL1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL18982653 0.76 CYP4F2 (0.43) L3MBTL1ALDH1A1SMN1; SMN2LMNAPTPN1
SCHEMBL19047410 0.74 CYP4F2 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTHTT

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
CN-108738320-B cGMP modulators for the treatment of cardiovascular diseases 默沙东公司 2021-11-19 — — CN disclosed
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-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 — — US 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 CA12 4415/4885CA1 3922/4885CA2 1126/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A CA12 4415/4885CA1 3922/4885CA2 1126/4885

“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.

Send feedback