SCHEMBL3556613

SCHEMBL3556613

CC(C)(C)c1ncc(OCC(=O)Nc2cscc2C(=O)O)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.48
PTPN1 P18031 1/20 0.47
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TSHR P16473 3/20 0.39
MAPK10 P53779 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
DVL1 O14640 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL3556730 0.83 HCAR2 (0.70) HCAR2MEN1KMT2AALDH1A1TP53
SCHEMBL3550521 0.76 PTPN1 (0.47) HCAR2PTPN1MEN1KMT2ACASP3
SCHEMBL3559719 0.76 NPC1 (0.57) HCAR2MEN1KMT2ATSHRALDH1A1
SCHEMBL3556271 0.76 PTPN1 (0.47) HCAR2PTPN1MEN1KMT2ACASP3
SCHEMBL3555404 0.76 MEN1 (0.48) HCAR2PTPN1MEN1KMT2ACASP3
SCHEMBL3553298 0.76 PTPN1 (0.43) HCAR2PTPN1MEN1KMT2ACASP3
SCHEMBL3556296 0.76 NPC1 (0.56) HCAR2MEN1KMT2ACASP3SENP8
SCHEMBL3555339 0.76 ALDH1A1 (0.51) HCAR2PTPN1MEN1KMT2ACASP3
SCHEMBL3561257 0.75 HCAR2 (0.56) HCAR2MEN1KMT2ACASP3SENP8
SCHEMBL3561053 0.75 SMN1; SMN2 (0.52) HCAR2MEN1KMT2ACASP3SENP8

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 121/4885PTPN1 648/4885MEN1 1943/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 HCAR2 121/4885PTPN1 648/4885MEN1 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.