SCHEMBL3554508

SCHEMBL3554508

CC(=O)c1cccc(-c2ccc(OCC(=O)Nc3cscc3C(=O)O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
HIF1A Q16665 3/20 0.53
EPAS1 Q99814 3/20 0.53
ALDH1A1 P00352 1/20 0.51
HCAR2 Q8TDS4 2/20 0.47
HAVCR2 Q8TDQ0 3/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL3555314 0.91 ALDH1A1 (0.53) MAPTHIF1AEPAS1ALDH1A1HAVCR2
SCHEMBL3555867 0.89 SMN1; SMN2 (0.52) MAPTHIF1AEPAS1ALDH1A1HCAR2
SCHEMBL3561257 0.87 HCAR2 (0.56) MAPTALDH1A1HCAR2LMNANPC1
SCHEMBL3558904 0.87 HCAR2 (0.56) ALDH1A1HCAR2HAVCR2NPC1SMN1; SMN2
SCHEMBL3555635 0.85 SERPINE1 (0.52) MAPTALDH1A1HCAR2NPC1RAB9A
SCHEMBL3556566 0.84 SERPINE1 (0.53) MAPTALDH1A1HCAR2LMNANPC1
SCHEMBL3556458 0.82 HCAR2 (0.50) MAPTHIF1AEPAS1ALDH1A1HCAR2
SCHEMBL3556228 0.81 LMNA (0.51) ALDH1A1HCAR2LMNAKDM4EHPGD
SCHEMBL3559960 0.80 NPC1 (0.51) ALDH1A1HCAR2LMNANPC1SMN1; SMN2
SCHEMBL3556827 0.80 NOTUM (0.51) MAPTHCAR2RAB9AKMT2ACYP3A4

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 4815/4885HIF1A 1691/4885EPAS1 2983/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 MAPT 4815/4885HIF1A 1691/4885EPAS1 2983/4885

“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.