SCHEMBL939706

SCHEMBL939706

O=C(O)c1cc(-c2ccccc2)sc1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
KMT2A Q03164 2/20 0.64
ERO1A Q96HE7 1/20 0.55
MAPT P10636 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
PTPN5 P54829 1/20 0.54
IKBKB O14920 4/20 0.53
KDM4E B2RXH2 2/20 0.51
ADORA1 P30542 1/20 0.50
GFER P55789 1/20 0.49
JAK2 O60674 2/20 0.47
JAK3 P52333 1/20 0.47
POLB P06746 1/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46

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
SCHEMBL12987082 0.82 ALDH1A1 (0.68) GAAMEN1ALDH1A1HPGDKMT2A
SCHEMBL4264881 0.79 GAA (0.66) GAAMEN1ALDH1A1HPGDKMT2A
SCHEMBL937896 0.78 ALDH1A1 (0.71) GAAMEN1ALDH1A1HPGDKMT2A
SCHEMBL939629 0.78 GAA (0.64) GAAMEN1ALDH1A1HPGDKMT2A
SCHEMBL3499341 0.78 GAA (0.64) GAAMEN1ALDH1A1HPGDKMT2A
SCHEMBL1062225 0.78 GAA (1.00) GAAMEN1ALDH1A1HPGDKMT2A
SCHEMBL939836 0.77 TSHR (0.52) GAAMEN1ALDH1A1HPGDKMT2A
SCHEMBL938581 0.77 TSHR (0.52) GAAMEN1ALDH1A1HPGDKMT2A
SCHEMBL14838409 0.74 HSD17B1 (0.41) GAAMEN1ALDH1A1HPGDKMT2A
SCHEMBL23412818 0.74 ALDH1A1 (0.58) GAAMEN1ALDH1A1HPGDKMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 US disclosed
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 US disclosed
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 US disclosed
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 US disclosed
EP-2694476-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-02-12 EP disclosed
US-8614209-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2013-12-24 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
WO-2012137181-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2012-10-11 WO disclosed
WO-2012137181-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2012-10-11 WO disclosed
EP-2283004-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2011-02-16 EP disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 WO disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 WO 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-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES POLRMT, MAVS, EIF2AK2 GAA 237/4885MEN1 4591/4885ALDH1A1 4105/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 GAA 593/4885MEN1 3430/4885ALDH1A1 328/4885

“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.