SCHEMBL692935

SCHEMBL692935

COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(=O)O)cn2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
P4HTM Q9NXG6 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
USP2 O75604 2/20 0.38
LMNA P02545 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HCAR3 P49019 2/20 0.38

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
SCHEMBL692452 0.91 GAA (0.43) GAATDP1P4HTMPOLBKMT2A
SCHEMBL14920386 0.84 POLB (0.45) POLBHCAR3
SCHEMBL30672325 0.78 ALDH1A1 (0.40) GAATDP1POLBKMT2AMEN1
SCHEMBL26856392 0.78 ALDH1A1 (0.40) GAATDP1POLBKMT2AMEN1
SCHEMBL28240511 0.77 GAA (0.42) GAATDP1POLBKMT2AMEN1
SCHEMBL691345 0.77 HCAR3 (0.52) HCAR3RXRARXRBRXRG
SCHEMBL13731989 0.77 GAA (0.38) GAATDP1POLBKMT2AMEN1
SCHEMBL30672413 0.77 POLB (0.40) GAATDP1POLBKMT2AMEN1
SCHEMBL26856622 0.77 POLB (0.40) GAATDP1POLBKMT2AMEN1
Acetic Acid SCHEMBL13732453 0.76 POLB (0.38) GAATDP1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421871-B1 THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-09-16 EP disclosed
US-8288379-B2 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-16 US disclosed
CN-102459282-A Thia-triaza-cyclopentazulenes as PI 3-kinase inhibitors for the treatment of cancer BOEHRINGER INGELHEIM INT 2012-05-16 CN disclosed
EP-2421871-A1 THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2012-02-29 EP disclosed
US-20110112087-A1 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US disclosed
WO-2010122071-A1 THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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-20110112087-A1 Thia-triaza-cyclopentazulenes CCNA1, MKI67, CCNT1 GAA 909/4885TDP1 850/4885P4HTM 337/4885

“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.