SCHEMBL25517849

SCHEMBL25517849

CCS(=N)(=O)c1cc(C2(C#N)CC2)ccc1-c1nc2cc(C(F)(F)F)ccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ S1PR1 P21453 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR2C P28335 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
SCHEMBL21586223 0.86 CYP1A2 (0.35) CYP1A2PIK3CAS1PR1ALDH1A1TRPM8
SCHEMBL30122116 0.86 POLB (0.38) PDE2ACYP1A2ALDH1A1TRPM8
SCHEMBL30122103 0.86 POLB (0.38) PDE2ACYP1A2ALDH1A1TRPM8
SCHEMBL30122353 0.86 CYP1A2 (0.35) CYP1A2PIK3CAS1PR1ALDH1A1TRPM8
SCHEMBL30122069 0.86 CYP1A2 (0.35) CYP1A2PIK3CAS1PR1ALDH1A1TRPM8
SCHEMBL30402935 0.86 CYP1A2 (0.35) CYP1A2PIK3CAS1PR1ALDH1A1TRPM8
SCHEMBL25517850 0.86 AGPAT2 (0.34) AGPAT2PDE2ACYP1A2GRM2S1PR1
SCHEMBL21586224 0.86 POLB (0.38) PDE2ACYP1A2ALDH1A1TRPM8
SCHEMBL21586182 0.83 CYP1A2 (0.32) CYP1A2PIK3CAALDH1A1
SCHEMBL30402347 0.83 CYP1A2 (0.32) CYP1A2PIK3CAALDH1A1

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-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-05-18 — — US disclosed
US-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-05-18 — — 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 (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-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS AADAC, ACHE, DDT AGPAT2 594/4885PDE2A 1040/4885CYP1A2 337/4885

“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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