SCHEMBL10210657

SCHEMBL10210657

N#Cc1ccc2c(c1)S(=O)(=O)CC2NCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
SLC6A4 P31645 5/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP11B2 P19099 1/20 0.32
CYP19A1 P11511 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32

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
SCHEMBL24075854 0.77 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL15491211 0.77 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL19695677 0.77 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL8255489 0.77 VEGFA (0.42) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL24090485 0.75 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL24090486 0.71 SLC6A4 (0.34) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL7424900 0.70 PPARA (0.45) KMT2A
SCHEMBL10444095 0.70 CA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL20992182 0.69 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL17050360 0.69 CA2 (0.38) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 CHRNA1 4860/4885CHRNG 4708/4885CHRNB1 4771/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CHRNA1 4860/4885CHRNG 4708/4885CHRNB1 4771/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CHRNA1 4860/4885CHRNG 4708/4885CHRNB1 4771/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CHRNA1 4860/4885CHRNG 4708/4885CHRNB1 4771/4885

“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.