SCHEMBL3798798

SCHEMBL3798798

COC(=O)c1ccc2c(c1C)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TARBP2 Q15633 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 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
SCHEMBL20563025 0.87 KDM4E (0.50) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3542790 0.83 MAPT (0.44) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2062068 0.83 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2427291 0.81 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6341931 0.81 AOC3 (0.43) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL23561475 0.81 KDM4E (0.43) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6852355 0.81 TARBP2 (0.46) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL12866048 0.80 AOC3 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2CASP3
Hydrochloric Acid SCHEMBL6182013 0.80 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6182003 0.80 AOC3 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140300-B1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INT GMBH (DE) 2019-08-14 EP disclosed
US-10167296-B2 Sulfoximine substituted quinazolines for pharmaceutical compositions EVOTEC INTERNATIONAL GMBH (DE) 2019-01-01 US disclosed
US-20170260195-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2017-09-14 US disclosed
EP-3140300-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS Evotec International GmbH (DE) 2017-03-15 EP disclosed
WO-2015169677-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-12 WO disclosed
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP 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-20170260195-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS NEK5, PDXK, NEK2 ALDH1A1 3648/4885NPC1 3528/4885RAB9A 1480/4885
US-10167296-B2 Sulfoximine substituted quinazolines for pharmaceutical compositions NEK5, PDXK, NEK2 ALDH1A1 3990/4885NPC1 3755/4885RAB9A 1463/4885

“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.