SCHEMBL113793

SCHEMBL113793

CCc1c(C)sc2c1c(O)c(-c1ccccc1C)c(=O)n2CC(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.33
CASR P41180 4/20 0.33
NR1I2 O75469 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MCL1 Q07820 2/20 0.32
KDM5A P29375 1/20 0.31
KMT2A Q03164 3/20 0.31
GNRHR P30968 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 1/20 0.31
PABPC1 P11940 1/20 0.31

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
SCHEMBL115291 0.88 TP53 (0.42) TP53KDM4EKMT2AMAPTPOLB
SCHEMBL115268 0.88 KDM4E (0.35) TP53CASRKDM4EHSD17B10MCL1
SCHEMBL115273 0.85 BRD4 (0.35) CASRKDM4EHSD17B10MCL1KDM5A
SCHEMBL115317 0.83 KDM5A (0.33) TP53CASRKDM4EHSD17B10KDM5A
SCHEMBL115110 0.76 ADORA2B (0.41) TP53KDM4EKMT2AMAPTPOLB
SCHEMBL115043 0.76 ERCC1 (0.39) TP53CASRKDM4EHSD17B10GNRHR
SCHEMBL114970 0.74 CASR (0.34) CASRNR1I2KMT2AGNRHR
SCHEMBL115161 0.74 HEXA (0.36) CASRNR1I2KDM4EHSD17B10MCL1
SCHEMBL115144 0.72 CASR (0.38) CASRNR1I2GNRHR
SCHEMBL116013 0.71 GAA (0.42) KMT2A

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 TP53 4438/4885CASR 4298/4885NR1I2 2192/4885

“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.