SCHEMBL21743017

SCHEMBL21743017

Cc1cc(C(C)OS(C)(=O)=O)cc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1604661 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL16726995 0.74 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2A
SCHEMBL18243673 0.74 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2A
SCHEMBL506969 0.73 HTT (0.41) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL16727017 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL506970 0.73 HTT (0.41) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL17789740 0.72 ALDH1A1 (0.41) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL24335752 0.71 CYP19A1 (0.40) ALDH1A1GAAMAPTHPGDPOLB
SCHEMBL24335753 0.71 CYP19A1 (0.40) ALDH1A1GAAMAPTHPGDPOLB
SCHEMBL18326356 0.71 CYP19A1 (0.40) ALDH1A1GAAMAPTHPGDPOLB

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-11319321-B2 [1,2,4]triazolo[1,5-a]pyrimidine compounds as PDE2 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2022-05-03 US disclosed
US-20200055858-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS PDE2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 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-20200055858-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE5A ALDH1A1 391/4885GAA 267/4885KDM4E 1511/4885
US-11319321-B2 [1,2,4]triazolo[1,5-a]pyrimidine compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A ALDH1A1 391/4885GAA 267/4885KDM4E 1511/4885

“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.