SCHEMBL16657641

SCHEMBL16657641

CCN(C(=O)C(C[S+]([O-])CC1CC1(F)F)=NOC)c1cn(-c2cccnc2)nc1C

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.30
ATM Q13315 1/20 0.30
CPB2 Q96IY4 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL16657628 0.92
SCHEMBL16660550 0.87 USP2 (0.31) USP2ATMCPB2NPC1RAB9A
SCHEMBL16657646 0.86 DGAT1 (0.34) NPC1RAB9A
SCHEMBL16657636 0.85
SCHEMBL16657672 0.84 CPB2 (0.31) CPB2NPC1RAB9A
SCHEMBL16657640 0.84 DGAT1 (0.33) NPC1RAB9A
SCHEMBL16657645 0.83 DGAT1 (0.32) NPC1RAB9A
SCHEMBL16657652 0.80
SCHEMBL16660612 0.79 SLC6A2 (0.31)
SCHEMBL16650487 0.78 SLC6A2 (0.30)

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-9497966-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-11-22 US disclosed
US-20150111732-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2015-04-23 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-20150111732-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, PRDX1, PRDX2 USP2 3158/4885ATM 3051/4885CPB2 1578/4885

“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.