SCHEMBL2704334

SCHEMBL2704334

COc1cccc(NC(C)CC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
NLRP3 Q96P20 1/20 0.51
USP2 O75604 1/20 0.51
MTNR1B P49286 3/20 0.50
MTNR1A P48039 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MITF O75030 1/20 0.49
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL5028056 0.82 MTNR1B (0.45) TSHRLMNAHTTNPC1RAB9A
SCHEMBL5861604 0.81 HTT (0.53) LMNAHTTNPC1RAB9AMEN1
SCHEMBL5861593 0.81 HTT (0.53) LMNAHTTNPC1RAB9AMEN1
SCHEMBL17604272 0.81 MAPT (0.49) TSHRMTNR1BMTNR1AMEN1KMT2A
SCHEMBL6274304 0.80 MTNR1B (0.57) TSHRPKMNPC1RAB9ANLRP3
SCHEMBL26616883 0.80 MTNR1B (0.57) TSHRPKMNPC1RAB9ANLRP3
SCHEMBL30797406 0.80 KDM1A (0.44) ALDH1A1
SCHEMBL21790727 0.80 ALDH1A1 (0.52) TSHRNPC1RAB9AMTNR1BMTNR1A
SCHEMBL5861572 0.79 ALDH1A1 (0.50) TSHRLMNANPC1RAB9AMEN1
SCHEMBL4124188 0.79 ALDH1A1 (0.50) TSHRLMNANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450358-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase Elan Pharmaceuticals Inc. (US) 2012-05-09 EP disclosed
EP-2038280-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2009-03-25 EP disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
WO-2007143523-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-12-13 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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 TSHR 3774/4885LMNA 1368/4885PKM 4062/4885

“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.