SCHEMBL4806510

SCHEMBL4806510

C[C@@H](OCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)O)cc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
PPARD Q03181 1/20 0.40
SERPINE1 P05121 1/20 0.40
TP53 P04637 1/20 0.40
MMP13 P45452 1/20 0.39
MAPT P10636 2/20 0.38
CYP19A1 P11511 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
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 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
SCHEMBL4804082 0.92 MAPT (0.40) POLBPPARDSERPINE1TP53MMP13
SCHEMBL4809910 0.91 PPARD (0.38) POLBPPARDSERPINE1TP53MMP13
SCHEMBL4802909 0.85 MMP13 (0.43) POLBPPARDSERPINE1TP53MMP13
SCHEMBL4806883 0.80 MMP13 (0.42) POLBPPARDSERPINE1TP53MMP13
SCHEMBL4804800 0.80 THRB (0.42) POLBPPARDSERPINE1TP53MMP13
SCHEMBL3496572 0.78 ALDH1A1 (0.35) POLBPPARDTP53CYP19A1KDM4E
SCHEMBL4806657 0.76 MEN1 (0.43) POLBPPARDTP53MMP13MAPT
SCHEMBL4805023 0.76 PDE1A (0.42) PPARDSERPINE1MMP13MAPTRXFP1
SCHEMBL4798568 0.74 THRB (0.39) POLBPPARDSERPINE1MMP13MAPT
SCHEMBL4804966 0.73 POLB (0.39) POLBPPARDMMP13MAPTKDM4E

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 6 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
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP POLB 34/4885PPARD 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.