SCHEMBL4804082

SCHEMBL4804082

COC(=O)c1cc2c(CO[C@H](C)c3ccccc3)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
PPARD Q03181 1/20 0.39
SERPINE1 P05121 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
PLA2G2A P14555 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MMP13 P45452 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL4806510 0.92 POLB (0.40) MAPTPPARDSERPINE1POLBTP53
SCHEMBL4809910 0.89 PPARD (0.38) MAPTPPARDSERPINE1POLBTP53
SCHEMBL4806657 0.85 MEN1 (0.43) MAPTPPARDPOLBTP53MEN1
SCHEMBL4799336 0.82 MAPT (0.42) MAPTPOLBTP53MEN1KMT2A
SCHEMBL4800004 0.81 MEN1 (0.40) MAPTPPARDMEN1KMT2AMMP13
SCHEMBL4805646 0.80 THRB (0.41) MAPTPPARDPOLBMEN1KMT2A
SCHEMBL4165398 0.80 HDAC1 (0.45) MAPTPOLBTP53MEN1KMT2A
SCHEMBL4802909 0.79 MMP13 (0.43) MAPTPPARDSERPINE1POLBTP53
SCHEMBL4166109 0.79 IDO1 (0.46) MAPTSERPINE1POLBTP53MEN1
SCHEMBL4158936 0.77 HSP90AA1 (0.43) MAPTPOLBTP53MEN1KMT2A

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-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP MAPT 600/4885PPARD 3557/4885SERPINE1 778/4885

“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.