SCHEMBL3555404

SCHEMBL3555404

O=C(COc1cc(Br)cc(Br)c1)Nc1cscc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
PTPN1 P18031 1/20 0.47
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HCAR2 Q8TDS4 3/20 0.43
ALDH1A1 P00352 2/20 0.40
DVL1 O14640 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
NOD2 Q9HC29 1/20 0.39
TSHR P16473 1/20 0.39
MAPK10 P53779 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
TRPM4 Q8TD43 1/20 0.38

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
SCHEMBL3556271 0.84 PTPN1 (0.47) MEN1KMT2APTPN1CASP3SENP8
SCHEMBL3550521 0.84 PTPN1 (0.47) MEN1KMT2APTPN1CASP3SENP8
SCHEMBL3553298 0.81 PTPN1 (0.43) MEN1KMT2APTPN1CASP3SENP8
SCHEMBL3559685 0.79 CASP6 (0.42) MEN1KMT2APTPN1CASP3SENP8
SCHEMBL3559719 0.79 NPC1 (0.57) MEN1KMT2AHCAR2ALDH1A1LMNA
SCHEMBL3559573 0.79 MEN1 (0.50) MEN1KMT2APTPN1CASP3SENP8
SCHEMBL3561257 0.78 HCAR2 (0.56) MEN1KMT2ACASP3SENP8SENP7
SCHEMBL3561252 0.78 NOTUM (0.55) MEN1KMT2ACASP3SENP8SENP7
SCHEMBL3561053 0.78 SMN1; SMN2 (0.52) MEN1KMT2ACASP3SENP8SENP7
SCHEMBL3552720 0.78 DVL1 (0.67) MEN1KMT2AALDH1A1DVL1LMNA

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 MEN1 1943/4885KMT2A 1863/4885PTPN1 648/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 MEN1 1943/4885KMT2A 1863/4885PTPN1 648/4885

“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.