SCHEMBL18179727

SCHEMBL18179727

CCS(=O)(=O)c1cc(-c2ccc(Cl)cc2)sc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.36
▸ PTGS1 P23219 3/20 0.36
▸ DDR1 Q08345 6/20 0.35
▸ SDHB P21912 1/20 0.33
▸ HSD11B1 P28845 3/20 0.32
▸ NR1I2 O75469 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ USP1 O94782 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ CCR2 P41597 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
SCHEMBL18179714 0.85 PTGS1 (0.35) PTGS2PTGS1DDR1SDHBUSP1
SCHEMBL18173870 0.83 LMNA (0.34) PTGS2PTGS1HSD11B1NR1I2LMNA
SCHEMBL18173807 0.82 SDHB (0.32) SDHB
SCHEMBL20393871 0.80 PTGS2 (0.43) PTGS2PTGS1LMNAKDM4EALDH1A1
SCHEMBL18179621 0.78 PRMT6 (0.35) LMNA
SCHEMBL18181488 0.78 DDR1 (0.35) DDR1
SCHEMBL18179703 0.76 RORC (0.36) DDR1SDHB
SCHEMBL18506217 0.76 CYP11B1 (0.35) PTGS2DDR1USP1NR1H2CCR2
SCHEMBL31141510 0.76 CYP11B1 (0.35) PTGS2DDR1USP1NR1H2CCR2
SCHEMBL18179709 0.76 MCHR1 (0.33) —

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 248/4885DDR1 4681/4885

“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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