SCHEMBL3551071

SCHEMBL3551071

Cc1ccccc1-c1ccc(OCC(=O)Nc2cscc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HCAR2 Q8TDS4 2/20 0.52
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
RXFP1 Q9HBX9 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 2/20 0.46

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
SCHEMBL3563245 0.90 ALDH1A1 (0.53) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3561257 0.87 HCAR2 (0.56) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3551053 0.87 HCAR2 (0.56) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3556458 0.82 HCAR2 (0.50) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3556228 0.82 LMNA (0.51) CYP1A2CYP3A4CYP2C9CYP2C19HCAR2
SCHEMBL3551622 0.81 HCAR2 (0.53) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3559960 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL3554671 0.80 ALDH1A1 (0.62) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3559719 0.79 NPC1 (0.57) MAPTNPC1RAB9AHCAR2ALDH1A1
SCHEMBL3558904 0.79 HCAR2 (0.56) NPC1RAB9ASMN1; SMN2HCAR2ALDH1A1

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
US-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US claimed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP claimed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 US claimed
WO-2007039482-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO claimed
US-20070072873-A1 Novel thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. 2007-03-29 US claimed
US-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US disclosed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 US disclosed
WO-2007039482-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072873-A1 Novel thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. 2007-03-29 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 (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-20070072873-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 MAPT 4815/4885NPC1 1082/4885RAB9A 813/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 MAPT 4815/4885NPC1 1082/4885RAB9A 813/4885

“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.