SCHEMBL2184431

SCHEMBL2184431

C1=CCC(c2ccc3c(c2)OCO3)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 3/20 0.53
MAPT P10636 2/20 0.53
MAPK9 P45984 2/20 0.53
HPGD P15428 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MCL1 Q07820 1/20 0.53
ALOX15B O15296 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL109226 0.83 CYP2C19 (0.57) ALDH1A1CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL1895209 0.83 CYP2C19 (0.57) ALDH1A1CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL178903 0.82 ALDH1A1 (0.56) ALDH1A1CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL108069 0.82 ALDH1A1 (0.56) ALDH1A1CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL12094206 0.80 CYP2C19 (0.54) ALDH1A1CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL27734515 0.78 CYP2C19 (0.53) ALDH1A1CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL2186103 0.77 CYP2C19 (0.51) ALDH1A1CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL12526245 0.76 CYP2C19 (0.50) ALDH1A1CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL8927381 0.76 MAPT (0.53) ALDH1A1CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL2711223 0.76 CYP2C19 (0.54) ALDH1A1CYP2C19CYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 US disclosed
US-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 US disclosed
US-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 US disclosed
EP-2346863-A2 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS Elan Pharmaceuticals Inc. (US) 2011-07-27 EP disclosed
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. 2010-04-01 US disclosed
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. 2010-04-01 US disclosed
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. 2010-04-01 US disclosed
WO-2010028213-A2 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed
WO-2010028213-A2 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2010-03-11 WO 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-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS PSEN1, PSEN2, SULT1E1 ALDH1A1 2383/4885CYP2C19 191/4885CYP1A2 348/4885

“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.