SCHEMBL3930634

SCHEMBL3930634

CC(C)CCn1c(=O)c(C2=CS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 7/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.40
RCE1 Q9Y256 1/20 0.40
NPC1 O15118 1/20 0.40
XBP1 P17861 1/20 0.39
NR1I2 O75469 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL3921380 0.90 MAPK1 (0.44) MAPK1HSD17B10KDM4EGAAALDH1A1
SCHEMBL3918621 0.89 MAPK1 (0.44) MAPK1HSD17B10KDM4EALDH1A1MEN1
SCHEMBL3923258 0.87 HSD17B10 (0.43) MAPK1HSD17B10KDM4EGAAALDH1A1
SCHEMBL3920394 0.86 MAPK1 (0.42) MAPK1HSD17B10KDM4EGAAALDH1A1
SCHEMBL3929186 0.86 MAPK1 (0.44) MAPK1HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL13938245 0.83 MAPK1 (0.40) MAPK1HSD17B10KDM4EGAAALDH1A1
SCHEMBL12403127 0.81 MAPK1 (0.82) MAPK1HSD17B10KDM4EGAAALDH1A1
SCHEMBL3921269 0.81 MAPK1 (0.40) MAPK1HSD17B10ALDH1A1LMNAHPGD
SCHEMBL21067927 0.79 HSD17B10 (0.67) MAPK1HSD17B10KDM4EGAAALDH1A1
SCHEMBL3926605 0.79 ALDH1A1 (0.48) MAPK1HSD17B10KDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786807-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2009-07-29 EP claimed
US-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 US claimed
US-20060040927-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-02-23 US claimed
EP-1786807-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2009-07-29 EP disclosed
US-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 US disclosed
US-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 US disclosed
US-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 US disclosed
EP-1802602-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-04 EP disclosed
WO-2006036527-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed
US-20060040927-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-02-23 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-20060040927-A1 Heterocyclic antiviral compounds HAVCR2, POLR1A, HCCS MAPK1 2052/4885HSD17B10 1635/4885KDM4E 2915/4885

“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.