SCHEMBL302386

SCHEMBL302386

[NH]S(=O)(=O)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA7 P43166 1/20 0.62
CA14 Q9ULX7 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 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
SCHEMBL4724826 0.77 CA12 (1.00) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL898965 0.74 CA12 (0.65) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL222875 0.74 CA12 (0.65) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL490315 0.74 CA12 (0.65) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL21850139 0.74 CA12 (0.56) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL302472 0.73
SCHEMBL12856096 0.72 CA12 (0.62) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL108245 0.72 CA12 (0.62) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL171195 0.72 CA12 (0.62) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL14160309 0.72 CA12 (0.62) CA12CA7CA14SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP claimed
EP-2288596-B1 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2016-11-30 EP claimed
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 EP claimed
US-9073870-B2 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US claimed
US-8859580-B2 Aryl- and heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US claimed
US-8765780-B2 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US claimed
US-20140179669-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-26 US claimed
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-02-27 US claimed
US-8609690-B2 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-17 US claimed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 EP claimed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
EP-1368349-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 EP claimed
WO-2003082290-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-09 WO claimed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 US claimed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 WO claimed
US-5843905-A Peptidic phosphinyloxymethyl ketones as interleukin-1β-converting enzyme inhibitors VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-12-01 US claimed
EP-0644197-B1 Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors VERTEX PHARMA (US) 1998-09-09 EP claimed
US-5677283-A α-heteroaryloxymethyl ketones as interleukin - 1 β converting enzyme inhibitors SANOFI (FR) 1997-10-14 US claimed
EP-0644198-A1 Alpha-heteroaryloxymethyl ketones as interleukin-1beta converting enzyme inhibitors STERLING WINTHROP INC. (US) 1995-03-22 EP claimed
EP-0644197-A1 Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors STERLING WINTHROP INC. (US) 1995-03-22 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20140179669-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use HSD11B1, CYP11B1, CYP46A1 CA12 1175/4885CA7 1155/4885CA14 1149/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 CA12 2049/4885CA7 1068/4885CA14 1012/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CA12 1926/4885CA7 845/4885CA14 631/4885
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B1, AR, CYP11B2 CA12 1870/4885CA7 1390/4885CA14 2174/4885

“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.