SCHEMBL16394151

SCHEMBL16394151

CC(C)(C)OC(=O)N=S(C)(=O)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
RORC P51449 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL17645101 0.84 F2 (0.43) SMN1; SMN2F2PRSS1PRSS2PRSS3
SCHEMBL24394662 0.84 CA12 (0.42) NPC1RAB9ARORCNR1H2NR1H3
SCHEMBL16394256 0.84 GPR119 (0.44) NPC1RECQLRAB9ASMN1; SMN2CA2
SCHEMBL21377804 0.83 MAPT (0.46) RAB9ASMN1; SMN2F2PRSS1PRSS2
SCHEMBL25248392 0.83 MAPT (0.46) RAB9ASMN1; SMN2F2PRSS1PRSS2
SCHEMBL25216941 0.83 MAPT (0.46) RAB9ASMN1; SMN2F2PRSS1PRSS2
SCHEMBL21377722 0.81 CA12 (0.47) SMN1; SMN2TSHRCA2CA1CA12
SCHEMBL17645104 0.81 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2F2PRSS1
SCHEMBL15686091 0.79 MAPT (0.48) SMN1; SMN2TSHRCA2CA1CA12
SCHEMBL25947163 0.79 CA12 (0.36) F2PRSS1PRSS2PRSS3CA2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022210-B1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2018-02-21 EP disclosed
EP-3022210-B1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2018-02-21 EP disclosed
US-9492436-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-15 US disclosed
US-9492436-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-15 US disclosed
US-9492436-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-15 US disclosed
EP-3022210-A1 NEW AZABENZIMIDAZOLE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2016-05-25 EP disclosed
US-20150025065-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 US disclosed
US-20150025065-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 US disclosed
US-20150025065-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 US disclosed
WO-2015007669-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 WO disclosed
WO-2015007669-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 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 (1 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-20150025065-A1 NEW AZABENZIMIDAZOLE DERIVATIVES PRKAR2B, PRKAB1, PRKAB2 NPC1 2130/4885RECQL 2243/4885RAB9A 2175/4885

“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.