SCHEMBL20448653

SCHEMBL20448653

CC1(C)OB(c2cc(Cl)c(C(=O)O)s2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
USP30 Q70CQ3 1/20 0.33
P4HB P07237 1/20 0.33
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 1/20 0.32
LIPG Q9Y5X9 2/20 0.31
AKR1B1 P15121 1/20 0.31
MAPK1 P28482 1/20 0.30
BCKDK O14874 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
LPL P06858 1/20 0.30
F2 P00734 1/20 0.30
F11 P03951 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL20563255 0.81 USP30 (0.33) USP30P4HBLIPGLPLF2
SCHEMBL20564062 0.79 PTPN1 (0.34) ALDH1A1HPGDTSHRUSP30P4HB
SCHEMBL20505332 0.78 F2 (0.36) DAOALDH1A1HPGDUSP30P4HB
SCHEMBL20505195 0.76 TSHR (0.36) ALDH1A1HPGDTSHRUSP30
SCHEMBL824177 0.75 JAK2 (0.32) LIPGLPL
SCHEMBL20505486 0.72 RXRA (0.38) ALDH1A1USP30MAPK1F2F11
SCHEMBL17239587 0.71 TSHR (0.35) ALDH1A1TSHR
SCHEMBL28554864 0.71 ALDH1A1 (0.36) ALDH1A1HPGDTSHRUSP30MAPK1
SCHEMBL20505078 0.70 CYP3A4 (0.36) ALDH1A1HPGDTSHRUSP30
SCHEMBL28519289 0.69 DAO (0.36) DAOLIPGMAPK1LPL

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-3356352-B1 PESTICIDALLY ACTIVE PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-08-19 EP disclosed
EP-3356352-B1 PESTICIDALLY ACTIVE PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-08-19 EP disclosed
US-10548317-B2 Pesticidally active pyrazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-02-04 US disclosed
US-10548317-B2 Pesticidally active pyrazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-02-04 US disclosed
US-20180263242-A1 PESTICIDALLY ACTIVE PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-09-20 US disclosed
EP-3356352-A1 PESTICIDALLY ACTIVE PYRAZOLE DERIVATIVES Syngenta Participations AG (CH) 2018-08-08 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-20180263242-A1 PESTICIDALLY ACTIVE PYRAZOLE DERIVATIVES ACHE, AADAC, API5 DAO 2725/4885ALDH1A1 265/4885HPGD 1107/4885
US-10548317-B2 Pesticidally active pyrazole derivatives ACHE, AADAC, API5 DAO 2725/4885ALDH1A1 265/4885HPGD 1107/4885

“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.