SCHEMBL3496938

SCHEMBL3496938

CCOC(=O)CN(Cc1c(C(=O)OCC)c(Br)c(Br)n1Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.45
TP53 P04637 6/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 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
SCHEMBL3495761 0.95 TP53 (0.44) TAS2R14TP53MAPTPOLBALDH1A1
SCHEMBL14395051 0.88 MAPT (0.43) TAS2R14TP53MAPTPOLBALDH1A1
SCHEMBL14303279 0.87 TAS2R14 (0.46) TAS2R14TP53MAPTPOLBALDH1A1
SCHEMBL2880592 0.78 MAPT (0.40) MAPTPOLBALDH1A1NPSR1MEN1
SCHEMBL13407055 0.77 MAPT (0.52) MAPTPOLBALDH1A1NPSR1MEN1
SCHEMBL2880340 0.76 MAPT (0.51) MAPTPOLBALDH1A1NPSR1MEN1
SCHEMBL16518030 0.75 ALDH1A1 (0.51) TAS2R14TP53MAPTPOLBALDH1A1
SCHEMBL13439912 0.75 TAS2R14 (0.46) TAS2R14ALDH1A1NPSR1MEN1KMT2A
SCHEMBL14376101 0.74 MAPT (0.55) MAPTPOLBALDH1A1NPSR1MEN1
SCHEMBL25219555 0.73 ALDH1A1 (0.58) TAS2R14TP53MAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 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-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 EP disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 EP 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
US-20050277661-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 (3 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 TAS2R14 4701/4885TP53 537/4885MAPT 600/4885
US-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP TAS2R14 4701/4885TP53 537/4885MAPT 600/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP TAS2R14 4701/4885TP53 537/4885MAPT 600/4885

“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.