SCHEMBL916580

SCHEMBL916580

COC(=O)c1cccc(/C=C/C(=O)OC(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NR1H4 Q96RI1 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
HTT P42858 1/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL916582 1.00 MAPT (0.40) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27764267 0.86 KDM4E (0.44) MAPTCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1878437 0.80 HDAC3 (0.38) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12904542 0.80 ALDH1A1 (0.45) CYP3A4CYP2C9CYP2C19SMN1; SMN2NPC1
SCHEMBL4283486 0.80 KDM4E (0.45) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4283483 0.80 KDM4E (0.45) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9000431 0.77 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL946065 0.77 LMNA (0.37) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL946916 0.77 LMNA (0.37) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL946064 0.77 LMNA (0.37) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003802-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-7754712-B2 Bridged N-cyclic sulfonamido inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
EP-1916985-A2 BRIDGED N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2008-05-07 EP disclosed
US-20080090817-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-04-17 US disclosed
US-7345056-B2 Bridged N-cyclic sulfonamido inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-20070049612-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2007-03-01 US disclosed
WO-2007022502-A2 BRIDGED N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-02-22 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 (3 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-20080090817-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 MAPT 112/4885CYP1A2 825/4885CYP3A4 1472/4885
US-20110003802-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 MAPT 112/4885CYP1A2 825/4885CYP3A4 1472/4885
US-20070049612-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 MAPT 112/4885CYP1A2 825/4885CYP3A4 1472/4885

“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.