SCHEMBL1618700

SCHEMBL1618700

O=S(=O)(c1ccc2ccccc2c1)N1CCNCC1CO

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.60
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MCOLN3 Q8TDD5 3/20 0.46
TSHR P16473 1/20 0.46
ALOX5AP P20292 2/20 0.46
FEN1 P39748 2/20 0.46
HTR6 P50406 2/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
AKR1C3 P42330 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AKR1C1 Q04828 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6301308 0.88 PKM (0.45) PKMALOX5APFEN1HTR6
SCHEMBL6184463 0.86 PKM (0.54) PKMLMNAALDH1A1SMN1; SMN2MCOLN3
SCHEMBL1661410 0.85 PKM (0.53) PKMLMNAALDH1A1SMN1; SMN2MCOLN3
SCHEMBL16430559 0.84 ALOX5AP (0.48) ALDH1A1TSHRALOX5APFEN1HTR6
SCHEMBL8156311 0.84 PKM (0.52) PKMLMNAALDH1A1SMN1; SMN2MCOLN3
SCHEMBL6793306 0.83 PKM (0.49) PKMLMNAALDH1A1SMN1; SMN2MCOLN3
Hydrochloric Acid SCHEMBL8153630 0.83 PKM (0.51) PKMLMNAALDH1A1SMN1; SMN2MCOLN3
SCHEMBL14538037 0.80 ALDH1A1 (0.46) PKMLMNAALDH1A1MCOLN3ALOX5AP
SCHEMBL1617124 0.80 PKM (0.55) PKMLMNAALDH1A1SMN1; SMN2MCOLN3
SCHEMBL14325344 0.78 HSD11B1 (0.46) LMNAALDH1A1TSHRALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 US disclosed
US-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 US disclosed
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 US disclosed
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 US disclosed
US-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 US disclosed
US-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 US disclosed
US-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 US disclosed
US-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 US disclosed
US-8097611-B2 Sulfonyl-derivatives as novel or histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2012-01-17 US disclosed
US-8097611-B2 Sulfonyl-derivatives as novel or histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2012-01-17 US disclosed
US-7709487-B2 anticancer agents; can be combined with other HDAC inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-05-04 US disclosed
US-7709487-B2 anticancer agents; can be combined with other HDAC inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-05-04 US disclosed
US-7704998-B2 anticancer agents; catalytic hydrogenation JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 US disclosed
US-7704998-B2 anticancer agents; catalytic hydrogenation JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 US disclosed
US-20080108601-A1 anticancer agents; catalytic hydrogenation VAN EMELEN KRISTOF 2008-05-08 US disclosed
US-20080108601-A1 anticancer agents; catalytic hydrogenation VAN EMELEN KRISTOF 2008-05-08 US disclosed
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 US disclosed
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 US disclosed
US-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 US disclosed
US-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 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 (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-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 PKM 424/4885LMNA 946/4885ALDH1A1 1215/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 PKM 424/4885LMNA 946/4885ALDH1A1 1215/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 PKM 424/4885LMNA 946/4885ALDH1A1 1215/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 PKM 1021/4885LMNA 1583/4885ALDH1A1 1356/4885

“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.