SCHEMBL3556827

SCHEMBL3556827

O=C(COc1ccc(-c2cccnc2)cc1)Nc1cscc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GALR3 O60755 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 3/20 0.48
RECQL P46063 1/20 0.48
DUSP3 P51452 1/20 0.48
BLM P54132 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
KMT2A Q03164 1/20 0.47
HCAR2 Q8TDS4 2/20 0.46
PORCN Q9H237 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MKNK2 Q9HBH9 4/20 0.44
MKNK1 Q9BUB5 3/20 0.44

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
SCHEMBL3561257 0.90 HCAR2 (0.56) MAPTRAB9AKMT2AHCAR2PORCN
SCHEMBL3556228 0.89 LMNA (0.51) GALR3KMT2AHCAR2PORCNCYP3A4
SCHEMBL3562843 0.85 PORCN (0.54) NOTUMTDP1L3MBTL1GALR3RAB9A
SCHEMBL3556458 0.84 HCAR2 (0.50) MAPTRAB9ARECQLKMT2AHCAR2
SCHEMBL3559960 0.83 NPC1 (0.51) L3MBTL1RAB9APOLBKMT2AHCAR2
SCHEMBL3555635 0.82 SERPINE1 (0.52) MAPTL3MBTL1RAB9AKMT2AHCAR2
SCHEMBL5328705 0.81 KDM6B (0.56) KMT2AHCAR2
SCHEMBL3551622 0.81 HCAR2 (0.53) MAPTL3MBTL1RAB9AKMT2AHCAR2
SCHEMBL3558904 0.81 HCAR2 (0.56) L3MBTL1RAB9APOLBRECQLKMT2A
SCHEMBL16197899 0.80 NOTUM (0.70) NOTUMTDP1GALR3RAB9APOLB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101268063-B Thiophene derivatives for the treatment of diabetes HOFFMANN LA ROCHE 2012-02-29 CN claimed
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
CN-101268063-B Thiophene derivatives for the treatment of diabetes HOFFMANN LA ROCHE 2012-02-29 CN disclosed
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 NOTUM 3609/4885MAPT 4815/4885TDP1 1316/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 NOTUM 3609/4885MAPT 4815/4885TDP1 1316/4885

“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.