SCHEMBL12819263

SCHEMBL12819263

CCOC(=O)C1(CO)CC(c2cc(Cl)cc(Cl)c2)=NO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CNR2 P34972 3/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL12817940 0.82 CA1 (0.49) F10CA1CA2ABCB11LMNA
SCHEMBL12818955 0.82 CA1 (0.39) F10CA1CA2PDE4APDE4B
SCHEMBL16950388 0.77 PDE4A (0.39) F10CA1CA2ABCB11LMNA
SCHEMBL16958717 0.77 CA1 (0.40) F10CA1CA2PDE4APDE4B
SCHEMBL24471503 0.76 ATM (0.36) ABCB11LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL16959515 0.75 CA1 (0.39) F10CA1CA2PDE4APDE4B
SCHEMBL15635157 0.75 CA1 (0.39) F10CA1CA2LMNAPDE4A
SCHEMBL3902665 0.73 RAB9A (0.44) F10LMNAMAPTSMN1; SMN2PDE4A
SCHEMBL28788638 0.72 CA1 (0.58) F10CA1CA2MAPTSMN1; SMN2
SCHEMBL16963493 0.71 CA1 (0.46) F10CA1CA2SMN1; SMN2PDE4A

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-2691379-B1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER IP GMBH (DE) 2016-11-02 EP disclosed
US-9078442-B2 Herbicidally and fungicidally active 3-phenylisoxazoline-5-carboxamides and 3-phenylisoxazoline-5-thioamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-14 US disclosed
US-20140100108-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-10 US disclosed
EP-2691379-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHENYLISOXAZOLINE-5-THIOAMIDES Bayer Intellectual Property GmbH (DE) 2014-02-05 EP disclosed
WO-2012130798-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHNEYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHNEYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2012-10-04 WO disclosed
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-09-02 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-20140100108-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHENYLISOXAZOLINE-5-THIOAMIDES CYP4X1, PRDX4, PRDX2 F10 1538/4885CA1 802/4885CA2 90/4885
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES ADRB1, ADRA2C, ADRB2 F10 4124/4885CA1 4785/4885CA2 3945/4885

“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.