SCHEMBL24915330

SCHEMBL24915330

CC(C)(O)c1cccc(COS(C)(=O)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.40
HCRTR2 O43614 17/20 0.40
ADORA2A P29274 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL19463634 0.83 ADAMTS4 (0.44) ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL25321212 0.82 KCNH2 (0.44) CYP1A2CYP3A4CYP2D6
SCHEMBL22242035 0.79 ADORA2A (0.41) HCRTR1HCRTR2ADORA2A
SCHEMBL17247586 0.78 CYP1A2 (0.40) ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL30193023 0.76 ADORA2A (0.40) HCRTR1HCRTR2ADORA2A
SCHEMBL4714316 0.76 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6
SCHEMBL4470267 0.76 MEN1 (0.39) CYP1A2CYP3A4CYP2D6
SCHEMBL24347486 0.75 HCRTR1 (0.42) HCRTR1HCRTR2ADORA2A
SCHEMBL536722 0.75 HCRTR1 (0.41) HCRTR1HCRTR2ADORA2A
SCHEMBL12335121 0.74 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6

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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 EP 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 (1 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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 HCRTR1 1495/4885HCRTR2 1086/4885ADORA2A 1/4885

“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.