SCHEMBL493498

SCHEMBL493498

O=C(O)COCCNCS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.46
LMNA P02545 1/20 0.43
HSD11B1 P28845 2/20 0.40
KMT2A Q03164 3/20 0.38
PAX8 Q06710 1/20 0.38
POLB P06746 1/20 0.38
METAP2 P50579 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5128116 0.87 ALDH1A1 (0.49) TBXA2RHSD11B1KMT2AALDH1A1MMP2
SCHEMBL493229 0.86 ALDH1A1 (0.42) TBXA2RHSD11B1KMT2AALDH1A1MMP1
SCHEMBL5128990 0.86 TBXA2R (0.36) TBXA2RLMNAALDH1A1
SCHEMBL493486 0.84 HTT (0.52) HSD11B1KMT2AALDH1A1CA1CA2
SCHEMBL5121522 0.82 TBXA2R (0.41) TBXA2RPOLBPKM
SCHEMBL5132109 0.80 MEP1B (0.43) TBXA2RLMNAPOLBPKM
SCHEMBL493488 0.78 NPSR1 (0.46) LMNAKMT2APAX8POLBALDH1A1
SCHEMBL493617 0.74 KMT2A (0.42) TBXA2RLMNAKMT2APOLBALDH1A1
SCHEMBL5114277 0.73 ALDH1A1 (0.40) KMT2APOLBALDH1A1
SCHEMBL4476640 0.73 ALDH1A1 (0.41) HSD11B1KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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 (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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 TBXA2R 13/4885LMNA 1324/4885HSD11B1 2319/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD TBXA2R 55/4885LMNA 2485/4885HSD11B1 2834/4885

“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.