SCHEMBL63283

SCHEMBL63283

COC(=O)c1nc2n(c(=O)c1OC(=O)c1ccccc1)CC1CCC2(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
CYP3A4 P08684 12/20 0.34
TSHR P16473 8/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CASP1 P29466 1/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPIA P62937 1/20 0.32

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
SCHEMBL61903 0.94 ROCK2 (0.36) RORCTSHRHPGDSMN1; SMN2MEN1
SCHEMBL51812 0.89 HPGD (0.35) RORCTSHRHPGDMAPK1SMN1; SMN2
SCHEMBL63621 0.82 ROCK2 (0.38) RORCMAPTHPGDMEN1KMT2A
SCHEMBL13691428 0.81 RORC (0.34) RORCCYP3A4TSHRALDH1A1MAPT
SCHEMBL61886 0.81 HPGD (0.38) RORCTSHRMAPTHPGDTP53
SCHEMBL9905086 0.80 HPGD (0.39) RORCTSHRMAPTHPGDTP53
SCHEMBL9905103 0.79 RORC (0.36) RORCTSHRALDH1A1FSHRCTSL
SCHEMBL63542 0.78 HPGD (0.38) RORCTSHRMAPTHPGDTP53
SCHEMBL62985 0.78 OGFRL1 (0.36) TSHRALDH1A1MAPTHPGDTP53
SCHEMBL16130200 0.78 TLR2 (0.38) RORCCYP3A4TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG RORC 1817/4885CYP3A4 319/4885TSHR 4845/4885

“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.