SCHEMBL4408696

SCHEMBL4408696

CCOC(=O)c1nc(-c2ccc(C(=O)O)cc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
RAB9A P51151 8/20 0.59
GAA P10253 2/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CSNK2A1 P68400 2/20 0.47
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PARP1 P09874 1/20 0.44
RARA P10276 1/20 0.43

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
SCHEMBL2705788 0.87 KDM4E (0.56) KDM4ERAB9AGAAPOLBHTT
SCHEMBL694852 0.87 ALDH1A1 (0.56) KDM4ERAB9AGAAALDH1A1NPC1
SCHEMBL28928759 0.86 ESR1 (0.49) KDM4ERAB9AGAAPOLBHTT
SCHEMBL6438482 0.86 NR1H4 (0.54) KDM4ERAB9AGAAALDH1A1NPC1
SCHEMBL10222539 0.85 ALDH1A1 (0.58) KDM4ERAB9AHTTALDH1A1NPC1
SCHEMBL3612395 0.85 MAPT (0.57) KDM4ERAB9AHTTALDH1A1NPC1
SCHEMBL1173463 0.85 PRKCZ (0.54) KDM4ERAB9AGAAHTTALDH1A1
SCHEMBL5733736 0.85 CDC7 (0.53) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL18425631 0.84 RAB9A (0.57) KDM4ERAB9AGAAPOLBALDH1A1
SCHEMBL204475 0.82 L3MBTL1 (0.57) KDM4EGAAHTTALDH1A1SMN1; SMN2

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
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-12-24 US disclosed
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-12-24 US disclosed
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-12-24 US disclosed
WO-2008154601-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2008-12-18 WO disclosed
WO-2008154601-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2008-12-18 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-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE ACE, SARS1, ACE2 KDM4E 2823/4885RAB9A 2336/4885GAA 42/4885

“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.