SCHEMBL3554938

SCHEMBL3554938

COC(=O)c1cncc(C(=O)OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 5/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 3/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
ATM Q13315 2/20 0.46
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PDE4D Q08499 1/20 0.40
CFTR P13569 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 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
SCHEMBL3558535 0.92 KDM4E (0.42) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL21816348 0.87 KDM4E (0.41) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL10467534 0.80 ALDH1A1 (0.48) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL89040 0.80 ATM (0.52) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL3560429 0.78 ALDH1A1 (0.47) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL754676 0.76 KDM4E (0.41) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL3511611 0.76 TSHR (0.57) KDM4EALDH1A1GAAPOLBHSD17B10
SCHEMBL31214158 0.75 ATM (0.47) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL6852879 0.75 CA1 (0.52) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL9271076 0.74 CA12 (0.48) KDM4EALDH1A1GLAGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2006-09-14 US disclosed
US-7084163-B2 Heterocyclic carboxamides and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2006-08-01 US disclosed
US-20040152698-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2004-08-05 US disclosed
EP-1425276-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2004-06-09 EP disclosed
WO-2003006454-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2003-01-23 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 (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-20040152698-A1 Heterocyclic carboxamides and their use as fungicides CYP1A2, CYP4X1, CYCS KDM4E 543/4885ALDH1A1 3137/4885GLA 825/4885
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides CYP4X1, CYP1A2, CYCS KDM4E 501/4885ALDH1A1 2827/4885GLA 1095/4885

“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.