SCHEMBL5338002

SCHEMBL5338002

CCOC(=O)c1nc(C2(C)CCCS2)n(C)c(=O)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
RXFP1 Q9HBX9 1/20 0.34
OGFRL1 Q5TC84 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
KDM5B Q9UGL1 2/20 0.32
CYP1A2 P05177 2/20 0.32
GAA P10253 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL5333442 0.78 OGFRL1 (0.35) KDM4ERXFP1OGFRL1ALDH1A1MAPT
SCHEMBL5424932 0.75 GABRA1 (0.33) KDM4ERXFP1OGFRL1ALDH1A1MAPT
SCHEMBL5388469 0.72 MAPT (0.38) KDM4EOGFRL1ALDH1A1MAPTKMT2A
SCHEMBL5388733 0.72 MAPT (0.37) KDM4EOGFRL1ALDH1A1MAPTKMT2A
SCHEMBL12778022 0.71 MAPT (0.38) KDM4ERXFP1OGFRL1ALDH1A1MAPT
SCHEMBL6087140 0.70 MAPK1 (0.40) KDM4ERXFP1OGFRL1ALDH1A1MAPT
SCHEMBL3060674 0.70 ALDH1A1 (0.44) KDM4ERXFP1ALDH1A1KMT2AKDM5B
SCHEMBL13647713 0.70 KDM5B (0.37) KDM4ERXFP1OGFRL1ALDH1A1MAPT
SCHEMBL14064595 0.70 KDM4E (0.38) KDM4ERXFP1OGFRL1ALDH1A1MAPT
SCHEMBL1169796 0.70 KDM4E (0.38) KDM4ERXFP1OGFRL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007064619-A1 PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 WO disclosed
WO-2007064619-A1 PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 WO disclosed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 US disclosed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 US disclosed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 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-20070129379-A1 HIV INTEGRASE INHIBITORS TYMP, POLN, IMPDH1 KDM4E 701/4885RXFP1 4723/4885OGFRL1 3866/4885

“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.