SCHEMBL5658878

SCHEMBL5658878

O=C(O)Cc1ccccc1Sc1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
HPGD P15428 1/20 0.66
MMP2 P08253 3/20 0.60
MMP9 P14780 3/20 0.60
MMP12 P39900 3/20 0.60
TDP1 Q9NUW8 1/20 0.51
AGBL2 Q5U5Z8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
AKR1B1 P15121 1/20 0.44
MMP14 P50281 1/20 0.44
RHEB Q15382 1/20 0.42
ANPEP P15144 1/20 0.42
PTPN7 P35236 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3765157 0.83 HPGD (0.78) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL11485914 0.82 CYP2C9 (0.62) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL11479221 0.82 CYP2C9 (0.62) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL4438683 0.81 CYP2C9 (0.69) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL6933325 0.81 CYP2C9 (0.74) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL8228112 0.81 MMP2 (0.76) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL9152799 0.81 CYP2C9 (0.57) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL5658428 0.80 APOBEC3G (0.52) CYP2C9CYP2C19HPGDLMNARHEB
SCHEMBL8363035 0.80 MMP2 (0.71) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL11006463 0.80 CYP2C9 (0.60) CYP2C9CYP2C19HPGDMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262309-B2 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof GLAXOSMITH KLINE ISTRAZIVOCKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US disclosed
EP-1492795-B1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2005-11-16 EP disclosed
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.D.D. (HR) 2005-06-23 US disclosed
US-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 US disclosed
EP-1492795-A1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-01-05 EP disclosed
WO-2003084961-A1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-10-16 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 (2 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-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B CYP2C9 624/4885CYP2C19 1243/4885HPGD 303/4885
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B CYP2C9 335/4885CYP2C19 828/4885HPGD 126/4885

“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.