SCHEMBL114970

SCHEMBL114970

Cc1ccccc1-c1c(O)c2ncsc2n(CC(F)F)c1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.34
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
NR1I2 O75469 4/20 0.32
ELANE P08246 1/20 0.32
KMT2A Q03164 1/20 0.31
GNRHR P30968 2/20 0.31
BRD4 O60885 1/20 0.31
PDE10A Q9Y233 2/20 0.31
PDE2A O00408 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRM1 Q13255 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
KCNA3 P22001 1/20 0.30
GHSR Q92847 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
SCHEMBL115096 0.86 KDM4E (0.36) CASRBRD4KCNH2GRM1
SCHEMBL115100 0.84 METAP2 (0.40) ESR1ESR2
SCHEMBL115943 0.82 CASR (0.34) CASRNR1I2ELANEKMT2AGNRHR
SCHEMBL114962 0.82 SMN1; SMN2 (0.34) CASRBRD4KCNH2GRM1ESR1
SCHEMBL115067 0.81 BRD4 (0.40) CASRELANEKMT2ABRD4KCNH2
SCHEMBL115043 0.80 ERCC1 (0.39) CASRERCC5FEN1ELANEGNRHR
SCHEMBL115145 0.79 CASR (0.33) CASRNR1I2ELANEGNRHRBRD4
SCHEMBL113677 0.78 KCNA3 (0.32) CASRNR1I2ELANEKMT2AGNRHR
SCHEMBL115291 0.76 TP53 (0.42) KMT2A
SCHEMBL115021 0.76 CASR (0.33) CASRNR1I2ELANEKMT2AGNRHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 CASR 4298/4885ERCC5 4625/4885FEN1 3630/4885

“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.