SCHEMBL3556730

SCHEMBL3556730

CC(C)(C)c1ccc(OCC(=O)Nc2cscc2C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.70
HIF1A Q16665 3/20 0.55
EPAS1 Q99814 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
TRPV1 Q8NER1 3/20 0.51
POLB P06746 3/20 0.49
GAA P10253 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 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
SCHEMBL3562415 0.89 HCAR2 (0.59) HCAR2HIF1AEPAS1SMN1; SMN2TRPV1
SCHEMBL3559719 0.84 NPC1 (0.57) HCAR2MAPTLMNAALDH1A1MEN1
SCHEMBL3556296 0.83 NPC1 (0.56) HCAR2SMN1; SMN2TRPV1POLBMAPT
SCHEMBL3555339 0.83 ALDH1A1 (0.51) HCAR2SMN1; SMN2CYP2C19ALDH1A1KDM4E
SCHEMBL3556613 0.83 HCAR2 (0.48) HCAR2HIF1AEPAS1SMN1; SMN2TRPV1
SCHEMBL3987191 0.82 HCAR2 (1.00) HCAR2HIF1AEPAS1SMN1; SMN2POLB
SCHEMBL3561257 0.82 HCAR2 (0.56) HCAR2SMN1; SMN2CYP2C19MAPTLMNA
SCHEMBL3556228 0.81 LMNA (0.51) HCAR2GAACYP2C19LMNAALDH1A1
SCHEMBL3559960 0.81 NPC1 (0.51) HCAR2SMN1; SMN2POLBCYP2C19TP53
SCHEMBL3551632 0.80 TP53 (0.56) HCAR2SMN1; SMN2POLBMAPTTP53

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 HCAR2 121/4885HIF1A 1691/4885EPAS1 2983/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 HCAR2 121/4885HIF1A 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.