SCHEMBL3555867

SCHEMBL3555867

CC(=O)Nc1cccc(-c2ccc(OCC(=O)Nc3cscc3C(=O)O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52
MAPT P10636 5/20 0.51
KDM4E B2RXH2 3/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HAVCR2 Q8TDQ0 5/20 0.48
FAAH O00519 2/20 0.48
AHR P35869 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
FYN P06241 1/20 0.46
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3562578 0.91 NPC1 (0.48) SMN1; SMN2NPC1RAB9AHIF1AEPAS1
SCHEMBL3554508 0.89 MAPT (0.53) SMN1; SMN2NPC1RAB9AHIF1AEPAS1
SCHEMBL3561257 0.86 HCAR2 (0.56) SMN1; SMN2NPC1RAB9AMAPTTSHR
SCHEMBL3558904 0.86 HCAR2 (0.56) SMN1; SMN2NPC1RAB9AKDM4EHPGD
SCHEMBL3555635 0.85 SERPINE1 (0.52) NPC1RAB9AMAPTL3MBTL1HCAR2
SCHEMBL3556566 0.83 SERPINE1 (0.53) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL3556228 0.81 LMNA (0.51) KDM4ELMNAHPGDHCAR2KMT2A
SCHEMBL3555314 0.80 ALDH1A1 (0.53) RAB9AHIF1AEPAS1MAPTTSHR
SCHEMBL3559960 0.80 NPC1 (0.51) SMN1; SMN2NPC1RAB9AKDM4ETSHR
SCHEMBL3556827 0.79 NOTUM (0.51) RAB9AMAPTL3MBTL1HCAR2KMT2A

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 SMN1; SMN2 3043/4885NPC1 1082/4885RAB9A 813/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 SMN1; SMN2 3043/4885NPC1 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.