SCHEMBL6997546

SCHEMBL6997546

CS(=O)(=O)OCC1CN(Cc2ccccc2)CC1COS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.46
FUCA1 P04066 2/20 0.45
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 1/20 0.44
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.42
RORC P51449 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ACHE P22303 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL6997539 1.00 GBA1 (0.46) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL500387 0.92 FUCA1 (0.55) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL10511264 0.92 FUCA1 (0.55) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL18453619 0.89 PTPN1 (0.44) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL22211395 0.89 PTPN1 (0.44) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL500407 0.89 PTPN1 (0.44) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL18488954 0.89 PTPN1 (0.44) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL3917962 0.85 FUCA1 (0.43) FUCA1RECQLSMN1; SMN2PTPN1S1PR1
SCHEMBL3917960 0.85 FUCA1 (0.43) FUCA1RECQLSMN1; SMN2PTPN1S1PR1
SCHEMBL17220043 0.85 FUCA1 (0.43) FUCA1RECQLSMN1; SMN2PTPN1S1PR1

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 13 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
EP-0792273-B1 BICYCLIC OXAZINE AND THIAZINE OXAZOLIDINONE ANTIBACTERIALS UPJOHN CO (US) 2003-03-05 EP disclosed
US-5952324-A BACTERICIDES AGAINST A NUMBER OF HUMAN AND VETERINARY PATHOGENS, INCLUDING GRAMPOSITIVE AEROBIC BACTERIA SUCH AS STAPHYLOCOCCI, STREPTOCOCCI, ENTEROCOCCI AND ANAEROBIC ORGANISMS SUCH AS BACTEROIDES, CLOSTRIDIA AND MYCOBACTERIUM PHARMACIA & UPJOHN COMPANY (US) 1999-09-14 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 (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 GBA1 3397/4885FUCA1 3735/4885RECQL 2243/4885

“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.