SCHEMBL4980683

SCHEMBL4980683

[CH2]N(c1ccccc1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.41
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
KEAP1 Q14145 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
PTPN1 P18031 1/20 0.36
CES1 P23141 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 2/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL7645581 0.77 PSIP1 (0.41) NR3C2CA12CA9CA2MEN1
SCHEMBL9453750 0.76 TSHR (0.42) CA12CA9CA2MEN1HTT
SCHEMBL2513199 0.75 NR3C2 (0.44) NR3C2CA12CA9CA2MEN1
SCHEMBL1704542 0.75 PKM (0.50) NR3C2CA12CA9CA2MEN1
SCHEMBL5281575 0.74 APOBEC3G (0.52) CA12CA9CA2KMT2AALDH1A1
SCHEMBL171307 0.73 ALDH1A1 (0.54) NR3C2CA12CA9CA2MEN1
SCHEMBL6950233 0.73 NR3C2 (0.39) NR3C2CA12CA9CA2MEN1
SCHEMBL5921937 0.71 HSP90AA1 (0.53) NR3C2CA12CA9CA2MEN1
SCHEMBL3923472 0.71 NR3C2 (0.41) NR3C2CA12CA9CA2MEN1
SCHEMBL1705973 0.71 NR3C2 (0.41) NR3C2CA12CA9CA2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
US-20080114010-A1 Novel Substituted Imidazole Compounds SMITHKLINE BEECHAM CORPORATION 2008-05-15 US disclosed
US-7301021-B2 Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-11-27 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
US-6489325-B1 INHIBITORS OF CSBP/P38, ONE OF SEVERAL KINASES INVOLVED IN A STRESS-RESPONSE SIGNAL TRANSDUCTION, DECREASE THE SYNTHESIS OF A WIDE VARIETY OF PRO-INFLAMMATORY PROTEINS INCLUDING, IL-6, IL-8, GM-CSF, AND COX-2 SMITHKLINE BEECHAM CORPORATION 2002-12-03 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-20080114010-A1 Novel Substituted Imidazole Compounds CREBBP, MAPKAPK2, ATF1 NR3C2 1833/4885CA12 4792/4885CA9 4755/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 NR3C2 4768/4885CA12 2695/4885CA9 1224/4885

“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.