SCHEMBL2633308

SCHEMBL2633308

COc1ccc2c(O)cc(-c3csc(NC(C)C)n3)nc2c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
KMT2A Q03164 9/20 0.38
MEN1 O00255 8/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRMT5 O14744 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
SCHEMBL15578479 0.90 TYR (0.42) TYRKMT2AMEN1GAALMNA
SCHEMBL1167213 0.88 TYR (0.48) TYRKMT2AMEN1GAALMNA
SCHEMBL693184 0.87 TYR (0.47) TYRKMT2AMEN1GAALMNA
SCHEMBL2633359 0.87 TYR (0.47) TYRKMT2AMEN1GAALMNA
SCHEMBL10194576 0.87 TYR (0.47) TYRKMT2AMEN1GAALMNA
SCHEMBL14392811 0.87 TYR (0.47) TYRKMT2AMEN1GAALMNA
SCHEMBL14393043 0.85 TYR (0.49) TYRKMT2AMEN1GAALMNA
SCHEMBL12736559 0.85 TYR (0.38) TYRKMT2AMEN1GAAALDH1A1
SCHEMBL12732040 0.85 TYR (0.38) TYRKMT2AMEN1LMNAALDH1A1
SCHEMBL12708298 0.83 TYR (0.47) TYRKMT2AMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2422791-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2014-12-17 EP disclosed
EP-2043658-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2012-04-25 EP disclosed
EP-2422791-A1 Antiviral phosphinate compounds Gilead Sciences, Inc. (US) 2012-02-29 EP disclosed
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US disclosed
WO-2008005565-A9 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2009-01-29 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-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS HAVCR2, PHOSPHO1, EIF2AK2 TYR 4870/4885KMT2A 3384/4885MEN1 2662/4885

“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.