SCHEMBL7909165

SCHEMBL7909165

CC(C)(C)OC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 6/20 0.44
MMP3 P08254 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
NR1I3 Q14994 5/20 0.41

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
SCHEMBL27975122 0.82 MMP8 (0.47) MMP8MMP3NPC1RAB9ACA12
SCHEMBL7906077 0.81 CA12 (0.45) MMP8MMP3NPC1RAB9ACA12
SCHEMBL3104630 0.80 MMP8 (0.48) MMP8MMP3NPC1RAB9ACA12
SCHEMBL3098889 0.79 NR1I3 (0.46) MMP8MMP3NPC1RAB9ACA12
SCHEMBL3102179 0.79 NR1I3 (0.46) MMP8MMP3NPC1RAB9ACA12
SCHEMBL7909162 0.79 MMP8 (0.43) MMP8MMP3NPC1RAB9ACA12
SCHEMBL3093406 0.78 MMP8 (0.45) MMP8MMP3NPC1RAB9ACA12
SCHEMBL3090378 0.78 MMP8 (0.45) MMP8MMP3NPC1RAB9ACA12
SCHEMBL3090372 0.78 MMP8 (0.45) MMP8MMP3NPC1RAB9ACA12
SCHEMBL19996133 0.78 NPC1 (0.53) NPC1RAB9ACA12CA1CA9

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
US-20150272962-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SLOAN KETTERING INST CANCER (US) 2015-10-01 US disclosed
US-9056857-B2 Methods for treating or preventing cancer and neurodegenerative diseases SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-06-16 US disclosed
US-20130158017-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-20 US disclosed
WO-2010075255-A2 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-07-01 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 (2 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-20130158017-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN2 MMP8 2810/4885MMP3 1230/4885NPC1 86/4885
US-20150272962-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN2 MMP8 2810/4885MMP3 1230/4885NPC1 86/4885

“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.