SCHEMBL20207777

SCHEMBL20207777

C[C@@H](O)c1ccc(S)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
UGT2B7 P16662 1/20 0.43
ALDH1A1 P00352 1/20 0.41
PTPN5 P54829 1/20 0.37
PGR P06401 1/20 0.36
ESR1 P03372 1/20 0.36
PDCD1 Q15116 1/20 0.36
ESR2 Q92731 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
IDO1 P14902 1/20 0.35
NOX1 Q9Y5S8 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 4/20 0.31
TDP1 Q9NUW8 4/20 0.31
KDM4E B2RXH2 4/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 3/20 0.31
HIF1A Q16665 2/20 0.31

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
SCHEMBL2212367 1.00 NOS3 (0.45) NOS3NOS1UGT2B7ALDH1A1PTPN5
Acetic Acid SCHEMBL9711169 0.89 NOS3 (0.42) NOS3NOS1UGT2B7ALDH1A1PTPN5
SCHEMBL9331190 0.85 NOS3 (0.54) NOS3NOS1UGT2B7ALDH1A1PTPN5
SCHEMBL9331061 0.85 NOS3 (0.54) NOS3NOS1UGT2B7ALDH1A1PTPN5
SCHEMBL40655 0.85 NOS3 (0.54) NOS3NOS1UGT2B7ALDH1A1PTPN5
SCHEMBL9331652 0.85 NOS3 (0.54) NOS3NOS1UGT2B7ALDH1A1PTPN5
SCHEMBL2643393 0.78 NOS3 (0.45) NOS3NOS1UGT2B7ALDH1A1PTPN5
SCHEMBL9293367 0.77 ESR1 (0.52) ESR1PDCD1ESR2CD274IDO1
SCHEMBL590373 0.77 TYR (0.46) ALDH1A1IDO1KDM4ELMNAHIF1A
SCHEMBL114216 0.77 UGT2B7 (0.52) NOS3NOS1UGT2B7ALDH1A1PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-08 US disclosed
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 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-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D NOS3 1732/4885NOS1 1683/4885UGT2B7 1839/4885
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D NOS3 1732/4885NOS1 1683/4885UGT2B7 1839/4885

“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.