SCHEMBL2186103

SCHEMBL2186103

OC1CC(c2ccc3c(c2)OCO3)CC1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
ALOX15B O15296 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
CYP3A4 P08684 3/20 0.50
MAPT P10636 3/20 0.50
MAPK9 P45984 2/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MCL1 Q07820 1/20 0.50
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL108069 0.86 ALDH1A1 (0.56) CYP2C19ALDH1A1CYP1A2ALOX15BALOX15
SCHEMBL178903 0.86 ALDH1A1 (0.56) CYP2C19ALDH1A1CYP1A2ALOX15BALOX15
SCHEMBL1895209 0.80 CYP2C19 (0.57) CYP2C19ALDH1A1CYP1A2ALOX15BALOX15
SCHEMBL109226 0.80 CYP2C19 (0.57) CYP2C19ALDH1A1CYP1A2ALOX15BALOX15
SCHEMBL8927381 0.80 MAPT (0.53) CYP2C19ALDH1A1CYP1A2ALOX15BALOX15
SCHEMBL27941669 0.79 CYP2C19 (0.53) CYP2C19ALDH1A1CYP1A2ALOX15BALOX15
SCHEMBL2184431 0.77 ALDH1A1 (0.54) CYP2C19ALDH1A1CYP1A2ALOX15BALOX15
SCHEMBL12094206 0.77 CYP2C19 (0.54) CYP2C19ALDH1A1CYP1A2ALOX15BALOX15
SCHEMBL27734515 0.76 CYP2C19 (0.53) CYP2C19ALDH1A1CYP1A2ALOX15BALOX15
SCHEMBL21162219 0.74 MAPT (0.46) CYP2C19ALDH1A1CYP1A2ALOX15BALOX15

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 CYP2C19 191/4885ALDH1A1 2383/4885CYP1A2 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.