SCHEMBL19992532

SCHEMBL19992532

CCSCC(=O)c1ccc(OCC(F)(F)C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.38
▸ CNR2 P34972 8/20 0.37
▸ P4HTM Q9NXG6 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CACNA1G O43497 2/20 0.32
▸ CACNA1H O95180 2/20 0.32
▸ CACNA1I Q9P0X4 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ TSHR P16473 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
SCHEMBL21182256 0.85 BACE1 (0.41) BACE1CNR2P4HTMCNR1CACNA1G
SCHEMBL19672945 0.85 HTT (0.41) BACE1CNR2P4HTMALDH1A1CACNA1G
SCHEMBL19992535 0.80 BACE1 (0.39) BACE1CNR2P4HTMCNR1CACNA1G
SCHEMBL17992230 0.80 BACE1 (0.38) BACE1CNR2P4HTMCNR1CACNA1G
SCHEMBL19992569 0.80 BACE1 (0.42) BACE1CNR2P4HTMALDH1A1CNR1
SCHEMBL1977314 0.78 P4HTM (0.55) BACE1P4HTMALDH1A1MAPTTSHR
SCHEMBL15670153 0.78 CYP1A2 (0.42) BACE1CNR2ALDH1A1MAPTNPC1
SCHEMBL1976231 0.78 MAPK1 (0.50) BACE1CNR2P4HTMALDH1A1CNR1
SCHEMBL19992568 0.77 BACE1 (0.37) BACE1CNR2P4HTMCNR1CACNA1G
SCHEMBL28883583 0.74 ALDH1A1 (0.35) P4HTMALDH1A1MAPT

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-3514155-B1 HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME SUMITOMO CHEMICAL CO (JP) 2021-06-09 — — EP disclosed
US-10721929-B2 Heterocyclic compound and harmful-arthropod-controlling agent containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-07-28 — — US disclosed
US-20190223436-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-25 — — US disclosed
EP-3514155-A1 HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME Sumitomo Chemical Company, Limited (JP) 2019-07-24 — — EP disclosed
WO-2018052119-A1 HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME 住友化学株式会社 2018-03-22 — — 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 (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-20190223436-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME OXER1, TAAR1, NR1D1 BACE1 3024/4885CNR2 64/4885P4HTM 2337/4885
US-10721929-B2 Heterocyclic compound and harmful-arthropod-controlling agent containing same OXER1, TAAR1, NR1D1 BACE1 3024/4885CNR2 64/4885P4HTM 2337/4885

“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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