SCHEMBL115292

SCHEMBL115292

Cc1ccccc1-c1c(O)c2sc(C(C)C)nc2n(CC(F)F)c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.36
NR1I2 O75469 4/20 0.36
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GNRHR P30968 4/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
BCL2 P10415 1/20 0.31
MCL1 Q07820 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
SCHEMBL115144 0.88 CASR (0.38) CASRNR1I2GNRHR
SCHEMBL115264 0.88 PDE4B (0.36) CASRNR1I2NPSR1MAPT
SCHEMBL115161 0.85 HEXA (0.36) CASRNR1I2MCL1
SCHEMBL115168 0.84 CASR (0.34) CASRNR1I2MAPT
SCHEMBL115975 0.84 CASR (0.34) CASRNR1I2NPSR1
SCHEMBL113824 0.84 ADORA3 (0.32) CASRNR1I2TP53MAPT
SCHEMBL115166 0.84 CASR (0.35) CASRNR1I2
SCHEMBL115301 0.84 BRD4 (0.35) CASRNR1I2TP53MAPT
SCHEMBL113811 0.83 CASR (0.35) CASRNR1I2POLBNPSR1TP53
SCHEMBL113809 0.83 P2RX3 (0.34) CASRNR1I2TP53MAPT

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 4298/4885NR1I2 2192/4885POLB 2612/4885

“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.