SCHEMBL4841894

SCHEMBL4841894

CCOC(=O)c1sc(C(=O)O)c2c1-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.46
APOBEC3A P31941 2/20 0.46
EIF4H Q15056 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 8/20 0.44
HPGD P15428 5/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 7/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CDC7 O00311 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
BCHE P06276 1/20 0.43
MAPK1 P28482 2/20 0.42

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
SCHEMBL4840445 0.83 MAPT (0.44) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL4847704 0.78 PABPC1 (0.46) PABPC1APOBEC3AEIF4HAPOBEC3GKMT2A
SCHEMBL5252071 0.72 BCHE (0.43) PABPC1APOBEC3AEIF4HAPOBEC3GKMT2A
SCHEMBL10487739 0.71 CDC7 (0.58) KMT2AMEN1ALDH1A1HPGDLMNA
Thianthrene SCHEMBL30440994 0.71 SMN1; SMN2 (0.58) PABPC1APOBEC3AEIF4HAPOBEC3GKMT2A
SCHEMBL7162856 0.69 PTGS2 (0.51) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL2064142 0.69 MAPT (0.56) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL16429545 0.69 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL10407735 0.67 ALDH1A1 (0.75) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL6050754 0.66 KDM4E (0.49) KMT2AMEN1ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435834-B2 2-thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2008-10-14 US claimed
EP-1684702-B1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-19 EP claimed
US-20060241099-A1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-10-26 US claimed
EP-1509530-B1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2006-03-15 EP claimed
US-20050182126-A1 2-Thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PILVA-ISTRAZIVACKI INSTITUT D.O.O. 2005-08-18 US claimed
US-20050131056-A1 2- thia-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 US claimed
US-7435834-B2 2-thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2008-10-14 US disclosed
US-20060241099-A1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-10-26 US disclosed
EP-1684702-A2 USE OF 2-THIA-DIBENZO(E,H) AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEAES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2006-08-02 EP disclosed
EP-1509530-B1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2006-03-15 EP disclosed
US-20050182126-A1 2-Thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PILVA-ISTRAZIVACKI INSTITUT D.O.O. 2005-08-18 US disclosed
US-20050131056-A1 2- thia-dibenzoazulenes 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
WO-2005041856-A2 USE OF 2-THIA-DIBENZO[E, H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-12 WO disclosed
EP-1509530-A1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-03-02 EP disclosed
WO-2003084962-A1 2-THIA-DIBENZOAZULENES 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 (3 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-20050182126-A1 2-Thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B PABPC1 3262/4885APOBEC3A 3498/4885EIF4H 2301/4885
US-20060241099-A1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS DBH, MAOB, BCHE PABPC1 4381/4885APOBEC3A 2175/4885EIF4H 3170/4885
US-20050131056-A1 2- thia-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B PABPC1 3191/4885APOBEC3A 3331/4885EIF4H 2248/4885

“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.