SCHEMBL3922960

SCHEMBL3922960

O=c1c(C2=CS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
CASP6 P55212 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NR1I2 O75469 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 2/20 0.41
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RCE1 Q9Y256 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
SCHEMBL3920019 0.92 CYP2C9 (0.50) MAPK1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL3922156 0.89 CYP2C9 (0.44) MAPK1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL3926605 0.86 ALDH1A1 (0.48) MAPK1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL3924228 0.85 CYP2C9 (0.47) MAPK1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL3921164 0.84 CYP2C9 (0.46) MAPK1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL3917989 0.82 CYP2C9 (0.42) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3929284 0.81 CYP2C9 (0.41) HSD17B10MEN1KMT2AL3MBTL1KDM4E
SCHEMBL3930634 0.79 MAPK1 (0.55) MAPK1HSD17B10MEN1KMT2AKDM4E
SCHEMBL3930787 0.79 CYP2C9 (0.43) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3922130 0.78 PIK3R1 (0.44) KDM4EPOLBMAPTNR1I2CYP2C9

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
EP-1786807-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-23 EP claimed
WO-2006021340-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-03-02 WO 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
EP-1786807-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-23 EP disclosed
WO-2006021340-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-03-02 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 1635/4885MEN1 4432/4885

“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.