SCHEMBL115264

SCHEMBL115264

CCn1c(=O)c(-c2ccccc2C)c(O)c2sc(C(C)C)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.36
PDE7A Q13946 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 2/20 0.34
METAP2 P50579 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.33
CASR P41180 2/20 0.33
NR1I2 O75469 1/20 0.33
RCE1 Q9Y256 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
SCHEMBL115292 0.88 CASR (0.36) CASRNR1I2NPSR1MAPT
SCHEMBL113824 0.87 ADORA3 (0.32) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL115301 0.86 BRD4 (0.35) KDM4EALDH1A1HPGDSMN1; SMN2CASR
SCHEMBL115127 0.86 PDE4B (0.38) PDE4BPDE7ACYP1A2CYP3A4CYP2C19
SCHEMBL113779 0.84 HEXA (0.40) PDE4BPDE7ACYP1A2CYP3A4CYP2C19
SCHEMBL115148 0.82 MEN1 (0.40) PDE4BPDE7ACYP1A2CYP3A4CYP2C19
SCHEMBL113787 0.82 PDE4B (0.36) PDE4BPDE7AMEN1KMT2AKDM4E
SCHEMBL115128 0.82 MEN1 (0.38) PDE4BPDE7ACYP1A2CYP3A4CYP2C19
SCHEMBL115155 0.81 KDM4E (0.35) PDE4BPDE7ACYP1A2CYP3A4CYP2C19
SCHEMBL115153 0.81 PDE4B (0.35) PDE4BPDE7ACYP1A2CYP3A4CYP2C19

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 PDE4B 3085/4885PDE7A 3343/4885CYP1A2 149/4885

“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.