SCHEMBL17843997

SCHEMBL17843997

CCc1ccccc1-c1ncsc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
CLCN2 P51788 1/20 0.37
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
PTPRC P08575 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PLEC Q15149 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 1/20 0.34
ADORA2A P29274 1/20 0.34
S1PR5 Q9H228 1/20 0.33
RORB Q92753 1/20 0.33
ATR Q13535 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2C Q14957 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
SCHEMBL28357565 0.94 KDM4E (0.41) KDM4EPKMCLCN2ALDH1A1HPGD
SCHEMBL21092113 0.87 FGFR1 (0.38) KDM4EPKMADORA2ARORBATR
SCHEMBL5550685 0.86 KDM4E (0.41) KDM4EPKMCLCN2ALDH1A1ADORA2A
SCHEMBL17843999 0.83 ALDH1A1 (0.43) KDM4EALDH1A1HPGDLMNA
SCHEMBL19743209 0.80 SLC9A1 (0.33) ADORA2A
SCHEMBL17844016 0.80 SLC9A1 (0.33) ADORA2A
SCHEMBL27920106 0.80 KDM4E (0.47) KDM4EPKMRORB
SCHEMBL24509432 0.78 RORB (0.46) KDM4EPKMALDH1A1RORB
SCHEMBL24508661 0.78 ALDH1A2 (0.47) KDM4EPKMHPGDADORA2A
SCHEMBL27582958 0.78 KDM4E (0.43) KDM4EPKMALDH1A1ADORA2ARORB

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
CN-107105657-B Molecules having pesticidal utility, and intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-03-03 CN disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
EP-3232788-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2017-10-25 EP disclosed
WO-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 WO disclosed
WO-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 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 (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-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 KDM4E 1908/4885PKM 418/4885CLCN2 1968/4885

“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.