SCHEMBL3552020

SCHEMBL3552020

N#Cc1ccc(OCC(=O)Nc2cscc2C(=O)O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.47
TRPM4 Q8TD43 3/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
HCAR2 Q8TDS4 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3559573 0.87 MEN1 (0.50) TRPM4KMT2AMEN1CASP3SENP8
SCHEMBL3561950 0.84 POLB (0.53) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL3556752 0.81 ATF4 (0.47) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL3559719 0.81 NPC1 (0.57) KMT2AMEN1NPC1RAB9AHCAR2
SCHEMBL3561252 0.79 NOTUM (0.55) TRPM4KMT2AMEN1CASP3SENP8
SCHEMBL3558343 0.79 CETP (0.49) TRPM4KMT2AMEN1CASP3SENP8
SCHEMBL3556271 0.78 PTPN1 (0.47) TRPM4KMT2AMEN1CASP3SENP8
SCHEMBL3552717 0.76 MAPT (0.48) RAB9APOLBMAPTHSD17B10
SCHEMBL3556296 0.75 NPC1 (0.56) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL3561257 0.75 HCAR2 (0.56) KMT2AMEN1CASP3SENP8SENP7

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 MRGPRX4 8/4885TRPM4 94/4885KMT2A 1863/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 MRGPRX4 8/4885TRPM4 94/4885KMT2A 1863/4885

“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.