SCHEMBL4550843

SCHEMBL4550843

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc(C=O)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
SSTR4 P31391 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MIF P14174 1/20 0.31
ATR Q13535 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
ABL1 P00519 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1780780 0.91 AKT1 (0.36) AKT1CTSLCTSBCTSSMIF
SCHEMBL10182754 0.80 KDM4E (0.31) POLBNPC1RAB9AKDM4EMAPT
SCHEMBL1780779 0.73 SSTR4 (0.33) CTSSSSTR4LMNAPOLB
SCHEMBL1781292 0.72 NPC1 (0.46) AKT1CTSLCTSBCTSSMIF
SCHEMBL4550677 0.72 KCNQ4 (0.32) AKT1NPC1RAB9AKDM4EMAPT
SCHEMBL14108099 0.71 SMN1; SMN2 (0.36) AKT1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL10563210 0.70 LMNA (0.52) AKT1CTSLCTSBCTSSLMNA
SCHEMBL4564104 0.70 AKT1 (0.38) AKT1CTSLCTSBCTSSLMNA
SCHEMBL21183602 0.69 AKT1 (0.34) AKT1CTSLCTSBCTSSLMNA
SCHEMBL14108108 0.69 AKT1 (0.36) AKT1LMNAPOLBSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R AKT1 1016/4885CTSL 3289/4885CTSB 3845/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R AKT1 1016/4885CTSL 3289/4885CTSB 3845/4885

“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.