SCHEMBL1780780

SCHEMBL1780780

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.36
CTSS P25774 3/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
MIF P14174 1/20 0.32
ATR Q13535 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 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
SCHEMBL4550843 0.91 AKT1 (0.33) AKT1CTSSCTSLCTSBNPC1
SCHEMBL1781295 0.74 RAB9A (0.47) AKT1CTSSCTSLCTSBNPC1
SCHEMBL1783529 0.72 AKT1 (0.36) AKT1CTSSCTSLCTSBNPC1
SCHEMBL10182754 0.72 KDM4E (0.31) NPC1RAB9AMAPTKDM4E
SCHEMBL31166817 0.70 RXFP1 (0.44) NPC1RAB9AMEN1KMT2AKCNQ4
SCHEMBL21175420 0.70 AKT1 (0.38) AKT1CTSSCTSLCTSBMAPT
SCHEMBL1578571 0.69 CES2 (0.35) ATRCA12CA1CA14
SCHEMBL1780779 0.68 SSTR4 (0.33) CTSSCTSK
SCHEMBL29951652 0.68 KCNQ4 (0.43) RAB9AMAPTKCNQ4KCNQ5ATR
SCHEMBL30039919 0.68 PRMT1 (0.39) NPC1RAB9AMAPTMEN1KMT2A

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 1016/4885CTSS 4062/4885CTSL 3289/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R AKT1 1016/4885CTSS 4062/4885CTSL 3289/4885

“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.