SCHEMBL3556458

SCHEMBL3556458

O=C(COc1ccc(-c2ncccn2)cc1)Nc1cscc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.50
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.46
CASP3 P42574 1/20 0.46
KMT2A Q03164 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 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 0.89 HCAR2 (0.56) HCAR2MEN1CASP3KMT2ASENP8
SCHEMBL3552623 0.88 TSHR (0.53) HCAR2GAAMEN1KMT2ANPSR1
SCHEMBL3556228 0.88 LMNA (0.51) HCAR2GAAMEN1CASP3KMT2A
SCHEMBL3551622 0.87 HCAR2 (0.53) HCAR2GAAMEN1CASP3KMT2A
SCHEMBL3559960 0.84 NPC1 (0.51) HCAR2MEN1CASP3KMT2ASENP8
SCHEMBL3556827 0.84 NOTUM (0.51) HCAR2KMT2AMAPTRAB9ACYP3A4
SCHEMBL3559719 0.83 NPC1 (0.57) HCAR2MEN1KMT2ANPSR1MAPT
SCHEMBL3562843 0.82 PORCN (0.54) HCAR2MEN1CASP3KMT2ASENP8
SCHEMBL3551071 0.82 MAPT (0.57) HCAR2MEN1CASP3KMT2ASENP8
SCHEMBL3554508 0.82 MAPT (0.53) HCAR2MEN1CASP3KMT2ASENP8

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 121/4885GAA 3797/4885MEN1 1943/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 HCAR2 121/4885GAA 3797/4885MEN1 1943/4885

“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.