SCHEMBL87323

SCHEMBL87323

CCOC(=O)c1nc2n(c(=O)c1O)CCC(CNC(=O)OCc1ccccc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
TGM2 P21980 2/20 0.41
F13A1 P00488 1/20 0.41
TGM1 P22735 1/20 0.41
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
CACNA1F O60840 1/20 0.39

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
SCHEMBL87285 0.85 CYP1A2 (0.40) F2PRSS1MAPTALDH1A1TSHR
SCHEMBL87305 0.84 MAPT (0.41) MAPTALDH1A1TSHRHPGDALOX15
SCHEMBL13691809 0.83 KCNH2 (0.45) TGM2F13A1TGM1MAPTALDH1A1
SCHEMBL13691655 0.80 F2 (0.37) F2PRSS1TGM2F13A1TGM1
SCHEMBL87444 0.78 MAPT (0.48) MAPTALDH1A1TSHRHPGDALOX15
SCHEMBL87545 0.76 KCNH2 (0.44) MAPTALDH1A1SMN1; SMN2CYP2C9TP53
SCHEMBL87301 0.76 MAPT (0.40) MAPTALDH1A1TSHRHPGDALOX15
SCHEMBL27190312 0.73 TGM2 (0.46) F2PRSS1TGM2F13A1TGM1
SCHEMBL62817 0.73 ROCK2 (0.37) MAPTHPGDL3MBTL1MEN1KMT2A
SCHEMBL13691707 0.73 KCNH2 (0.46) MAPTTSHRSMN1; SMN2NPSR1CYP2C9

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 F2 3156/4885PRSS1 499/4885TGM2 3294/4885

“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.