SCHEMBL2544576

SCHEMBL2544576

CS(=O)(=O)OC[C@H]1COc2ccccc2O1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
MTNR1A P48039 1/20 0.50
RECQL P46063 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL7982000 1.00 CA2 (0.55) CA2L3MBTL1LMNAMAPK1MTNR1A
SCHEMBL1545420 1.00 CA2 (0.55) CA2L3MBTL1LMNAMAPK1MTNR1A
SCHEMBL9446251 0.96 CA2 (0.51) CA2L3MBTL1LMNAMAPK1MTNR1A
Piperoxan SCHEMBL9446249 0.87 ADRA2A (0.70)
SCHEMBL1545033 0.85 CA2 (0.56) CA2LMNAMTNR1AHTTSMN1; SMN2
SCHEMBL9451259 0.85 CA2 (0.64) CA2L3MBTL1LMNAMAPK1MTNR1A
SCHEMBL14185726 0.82 HTR6 (0.68) CA2L3MBTL1LMNARECQLHTT
SCHEMBL3153504 0.82 HTR6 (0.68) CA2L3MBTL1LMNARECQLHTT
SCHEMBL9696426 0.82 ALOX5 (0.58) MTNR1ARECQLSMN1; SMN2
SCHEMBL3149144 0.82 HTR6 (0.61) CA2L3MBTL1LMNARECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2011-10-27 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 (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-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ADRA2C, ADRA2A, HTR2C CA2 872/4885L3MBTL1 2753/4885LMNA 2818/4885

“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.