SCHEMBL21715816

SCHEMBL21715816

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-c2ccc(C3(C)CC3)cc2)n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ PTGS2 P35354 5/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ RORC P51449 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PTGER4 P35408 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
SCHEMBL20393862 0.88 PIK3C2A (0.37) CA1CA2CA12CA9KCNH2
SCHEMBL21715820 0.88 PTGS2 (0.34) CA1CA2CA12CA9CNR2
SCHEMBL21715819 0.86 CA1 (0.39) CA1CA2CA12CA9KCNH2
SCHEMBL20393710 0.86 PTGS2 (0.42) CA1CA2CA12CA9KCNH2
SCHEMBL20393708 0.86 PTGS2 (0.40) CA1CA2CA12CA9KCNH2
SCHEMBL21715691 0.85 CA1 (0.39) CA1CA2CA12CA9CNR2
SCHEMBL20393848 0.85 MEN1 (0.39) CA1CA2CA12CA9KCNH2
SCHEMBL20393612 0.84 S1PR1 (0.44) CA1CA2CA12CA9KCNH2
SCHEMBL20393695 0.83 KCNH2 (0.38) CA1CA2CA12CA9KCNH2
SCHEMBL20393631 0.82 LOXL2 (0.36) CA1CA2CA12CA9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11083199-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-08-10 — — US disclosed
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — US 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-11083199-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 CA1 1147/4885CA2 1444/4885CA12 3994/4885
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 CA1 1147/4885CA2 1444/4885CA12 3994/4885

“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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