SCHEMBL18179759

SCHEMBL18179759

CCS(=O)(=O)c1sc(-c2ccc(Cl)cc2)nc1-c1nc2cc(SC(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAT2A P31153 3/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RORC P51449 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
SCHEMBL18179760 0.88 MEN1 (0.32) ALDH1A1MEN1KMT2ACYP1A2USP2
SCHEMBL18179728 0.88 PTGS2 (0.35) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18179638 0.85 — —
SCHEMBL21376060 0.84 PTGDR2 (0.33) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18179709 0.82 MCHR1 (0.33) MAT2A
SCHEMBL18181490 0.76 LIPG (0.35) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30958295 0.75 — —
SCHEMBL19755918 0.75 — —
SCHEMBL21376157 0.75 MCHR1 (0.33) PTGDR2MAT2A
SCHEMBL20047438 0.74 CNR2 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 — — EP disclosed
EP-3286187-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 — — EP disclosed
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 — — US disclosed
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 — — US disclosed
WO-2016169886-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA CROP PROTECTION AG (CH) 2016-10-27 — — 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-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES DDT, NIT2, SQOR PTGDR2 1342/4885ALDH1A1 1590/4885KDM4E 2923/4885

“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.

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