SCHEMBL18179545

SCHEMBL18179545

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc(-c2ccc(Cl)cc2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.36
▸ PTGS2 P35354 6/20 0.35
▸ PTGS1 P23219 4/20 0.35
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SDHB P21912 1/20 0.31
▸ DDR1 Q08345 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ MAT2A P31153 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ NR1H2 P55055 1/20 0.31

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
SCHEMBL18179713 0.84 PTGS2 (0.35) KCNH2PTGS2PTGS1CA12CA1
SCHEMBL18179714 0.84 PTGS1 (0.35) KCNH2PTGS2PTGS1CA12CA1
SCHEMBL19299797 0.84 MAPT (0.36) KCNH2LMNADDR1RORC
SCHEMBL18173822 0.83 LMNA (0.34) PTGS2PTGS1LMNA
SCHEMBL18179701 0.83 PTGS1 (0.32) PTGS2PTGS1LMNA
SCHEMBL18179728 0.82 PTGS2 (0.35) KCNH2PTGS2PTGS1CA12CA1
SCHEMBL20393710 0.81 PTGS2 (0.42) KCNH2PTGS2PTGS1CA12CA1
SCHEMBL21948583 0.80 KCNH2 (0.32) KCNH2RORC
SCHEMBL19283559 0.80 KCNH2 (0.37) KCNH2LMNACNR2RORCNR1H2
SCHEMBL17432175 0.79 PTGS2 (0.39) PTGS2PTGS1CA12CA1CA2

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 4 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
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 KCNH2 1799/4885PTGS2 186/4885PTGS1 248/4885

“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.

Send feedback