SCHEMBL4393473

SCHEMBL4393473

Cc1nc(NC(=O)O)sc1C(=O)c1sc(NC(=O)O)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 9/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 1/20 0.50
KMT2A Q03164 4/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL4473418 0.86 RXFP1 (0.70) RXFP1CYP1A2CYP2C9GAAALDH1A1
SCHEMBL4395319 0.82 ALDH1A1 (0.66) RXFP1CYP1A2CYP2C9GAAALDH1A1
SCHEMBL16238270 0.79 RAB9A (0.64) RXFP1GAAALDH1A1SMN1; SMN2NPC1
SCHEMBL3585209 0.77 ALDH1A1 (0.64) RXFP1CYP1A2CYP2C9GAAALDH1A1
SCHEMBL6619763 0.77 CYP1A2 (0.50) RXFP1CYP1A2CYP2C9GAAALDH1A1
SCHEMBL774205 0.77 MAPT (0.81) CYP1A2CYP2C9ALDH1A1SMN1; SMN2NPC1
SCHEMBL16757197 0.76 RAB9A (0.44) RXFP1CYP1A2CYP2C9GAAALDH1A1
SCHEMBL16757053 0.76 NPC1 (0.44) RXFP1CYP1A2CYP2C9GAAALDH1A1
SCHEMBL3823010 0.76 RAB9A (0.44) RXFP1CYP1A2CYP2C9GAAALDH1A1
SCHEMBL5614198 0.76 ALDH1A1 (0.53) RXFP1CYP1A2CYP2C9GAAALDH1A1

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
EP-2007393-B1 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS UNIV LOUISIANA STATE (US) 2013-08-21 EP disclosed
US-8217037-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers B.V. PATEL PHARMACEUTICAL EDUCATION & RESEARCH DEVELOPMENT (PERD) CENTRE (IN) 2009-12-10 US disclosed
EP-2007393-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-12-31 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 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-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB RXFP1 3706/4885CYP1A2 2609/4885CYP2C9 2234/4885

“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.