SCHEMBL16401266

SCHEMBL16401266

O=C(NS/N=C/c1ccc2c(c1)CCc1c-2noc1-c1ccc(OC(F)(F)F)cc1)Nc1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMURF2 Q9HAU4 3/20 0.40
SMURF1 Q9HCE7 3/20 0.40
S1PR1 P21453 12/20 0.36
PTGS2 P35354 1/20 0.36
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
S1PR3 Q99500 7/20 0.35
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
KCNH2 Q12809 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL16400718 0.94 SMURF2 (0.36) SMURF2SMURF1S1PR1PTGS2IP6K1
SCHEMBL16401571 0.91 SMURF2 (0.39) SMURF2SMURF1S1PR1IP6K1IP6K3
SCHEMBL16401106 0.88 S1PR1 (0.38) SMURF2SMURF1S1PR1IP6K1IP6K3
SCHEMBL16400284 0.87 SMURF2 (0.36) SMURF2SMURF1S1PR1IP6K1IP6K3
SCHEMBL16401040 0.87 TRPV1 (0.36) SMURF2SMURF1S1PR1IP6K1IP6K3
SCHEMBL16401310 0.86 SMURF2 (0.41) SMURF2SMURF1TP53
SCHEMBL16400914 0.85 TP53 (0.39) SMURF2SMURF1S1PR1IP6K1IP6K3
SCHEMBL16401018 0.84 MAPT (0.37) SMURF2SMURF1S1PR1IP6K1IP6K3
SCHEMBL16401270 0.83 S1PR1 (0.37) SMURF2SMURF1S1PR1PTGS2IP6K1
SCHEMBL16401268 0.83 S1PR1 (0.37) SMURF2SMURF1S1PR1PTGS2IP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP claimed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US claimed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US claimed
EP-3022185-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2016-05-25 EP claimed
WO-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 WO claimed
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 SMURF2 3631/4885SMURF1 3269/4885S1PR1 903/4885

“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.