SCHEMBL1779061

SCHEMBL1779061

COCCSc1c(C(F)(F)F)ccc(C(=O)O)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.36
PTGER4 P35408 2/20 0.35
ALDH1A1 P00352 4/20 0.35
PKM P14618 2/20 0.35
HSD17B10 Q99714 4/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NOTUM Q6P988 1/20 0.33
LMNA P02545 1/20 0.33
MAP2K7 O14733 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
ALOX12 P18054 1/20 0.33
ALOX15 P16050 2/20 0.33
SORT1 Q99523 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 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
SCHEMBL1636013 0.82 TAS2R14 (0.40) TAS2R14PTGER4ALDH1A1HSD17B10HPGD
SCHEMBL19075046 0.77 PKM (0.31) PKM
SCHEMBL412257 0.77 TAS2R14 (0.42) TAS2R14ALDH1A1PKMHSD17B10HPGD
SCHEMBL19075043 0.73 TSHR (0.30) TDP1
SCHEMBL1781054 0.73 HCRTR1 (0.34) TDP1
SCHEMBL10053348 0.71 TAS2R14 (0.51) TAS2R14ALDH1A1HSD17B10HPGDNOTUM
SCHEMBL23284008 0.71 AR (0.36) TAS2R14ALDH1A1HSD17B10HPGDNOTUM
SCHEMBL30634615 0.69 TAS2R14 (0.45) TAS2R14ALDH1A1HSD17B10HPGDNOTUM
SCHEMBL27466963 0.69 TAS2R14 (0.45) TAS2R14ALDH1A1HSD17B10HPGDNOTUM
SCHEMBL1634606 0.69 TAS2R14 (0.45) TAS2R14ALDH1A1HSD17B10HPGDNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167473-B1 3-CYCLOPROPYL-4-(3-THIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BAYER IP GMBH (DE) 2017-07-05 EP disclosed
CN-101679285-B 3-cyclopropyl-4-(3-thiobenzoyl)pyrazoles and their use as herbicides BAYER CROPSCIENCE AG 2013-07-24 CN disclosed
US-7943551-B2 3-cyclopropyl-4-(3-thiobenzoyl) pyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2011-05-17 US disclosed
EP-2167473-A2 3-CYCLOPROPYL-4-(3-THIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES Bayer CropScience AG (DE) 2010-03-31 EP disclosed
CN-101679285-A 3-cyclopropyl-4-(3-thiobenzoyl) pyrazoles and as the purposes of weedicide BAYER CROPSCIENCE AG 2010-03-24 CN disclosed
WO-2008151719-A2 3-CYCLOPROPYL-4-(3-THIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-12-18 WO disclosed
US-20080305956-A1 3-Cyclopropyl-4-(3-Thiobenzoyl) Pyrazoles And Their Use as Herbicides BAYER CROPSCIENCE AG (US) 2008-12-11 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 (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-20080305956-A1 3-Cyclopropyl-4-(3-Thiobenzoyl) Pyrazoles And Their Use as Herbicides TH, GLRX3, DDT TAS2R14 637/4885PTGER4 1138/4885ALDH1A1 856/4885

“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.