SCHEMBL18179728

SCHEMBL18179728

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ RORC P51449 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SDHB P21912 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 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

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
SCHEMBL18179759 0.88 PTGDR2 (0.34) PTGS2PTGDR2ALDH1A1KDM4EMEN1
SCHEMBL18179713 0.86 PTGS2 (0.35) PTGS2PTGS1PTGDR2ALDH1A1KDM4E
SCHEMBL18179619 0.84 NPC1 (0.34) PTGS2KCNH2RORCSDHBCA12
SCHEMBL20393710 0.84 PTGS2 (0.42) PTGS2PTGS1PTGDR2KCNH2RORC
SCHEMBL18173833 0.83 S1PR1 (0.33) PTGS2KCNH2RORCLMNASDHB
SCHEMBL18173863 0.83 LMNA (0.36) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18179545 0.82 KCNH2 (0.36) PTGS2PTGS1KCNH2RORCLMNA
SCHEMBL17422648 0.82 PTGS2 (0.38) PTGS2PTGS1PTGDR2KCNH2RORC
SCHEMBL18179706 0.81 PTGDR2 (0.33) PTGS2PTGS1PTGDR2ALDH1A1KDM4E
SCHEMBL20393714 0.81 PTGS2 (0.38) PTGS2PTGS1KCNH2RORCLMNA

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 PTGS2 186/4885PTGS1 248/4885PTGDR2 1342/4885

“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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