SCHEMBL63048

SCHEMBL63048

CCOC(=O)c1nc2n(c(=O)c1O)CC1(C)CCC2(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
ROCK2 O75116 1/20 0.36
TSHR P16473 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
FSHR P23945 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9942880 0.91 HPGD (0.35) HPGDROCK2TSHRCYP3A4CYP2C9
SCHEMBL52246 0.85 HPGD (0.37) HPGDROCK2MEN1KMT2AMAPT
SCHEMBL9900673 0.83 P2RX7 (0.34) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL64306 0.83 KCNH2 (0.41) HPGDCYP2C9MEN1KMT2AALDH1A1
SCHEMBL63621 0.82 ROCK2 (0.38) HPGDROCK2MEN1KMT2AMAPT
SCHEMBL63519 0.82 OGFRL1 (0.41) HPGDROCK2TSHRCYP3A4CYP2C9
SCHEMBL62817 0.82 ROCK2 (0.37) HPGDROCK2MEN1KMT2ALMNA
SCHEMBL62151 0.81 ADORA3 (0.37) HPGDROCK2CTSLCTSBCTSS
SCHEMBL13691434 0.81 ROCK2 (0.39) HPGDROCK2MEN1KMT2AALDH1A1
SCHEMBL52276 0.80 ROCK2 (0.36) HPGDROCK2MEN1KMT2ACTSL

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 3 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-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO 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 HPGD 1406/4885ROCK2 1690/4885TSHR 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.