SCHEMBL1726872

SCHEMBL1726872

CCCC(C)NS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 1/20 0.47
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC1 Q13547 2/20 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
SCHEMBL1728207 0.86 TP53 (0.45) SMN1; SMN2CA2CA12CA9TP53
SCHEMBL14532481 0.85 TP53 (0.53) SMN1; SMN2CA2TP53CA1FDPS
SCHEMBL1728198 0.85 TP53 (0.53) SMN1; SMN2CA2TP53CA1FDPS
SCHEMBL1728177 0.83 TP53 (0.52) CA2TP53LMNACA1FDPS
SCHEMBL1726632 0.83 TP53 (0.52) CA2TP53LMNACA1FDPS
SCHEMBL1727806 0.83 TP53 (0.52) CA2TP53LMNACA1FDPS
SCHEMBL9971665 0.80
SCHEMBL1728025 0.80
SCHEMBL5254185 0.80 SMN1; SMN2 (0.52) SMN1; SMN2CA2CA12CA9TP53
SCHEMBL11395178 0.78 TP53 (0.35) SMN1; SMN2CA2CA12CA9TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921124-B2 Pyrazole-based cyanine dye WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-30 US disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
WO-2012033298-A3 METHOD FOR MANUFACTURING A NOX GAS SENSOR, AND NOX GAS SENSOR MANUFACTURED USING SAME 일진머티리얼즈 주식회사 (KR) 2012-05-10 WO disclosed
EP-2006289-B1 PYRAZOLE-TYPE CYANINE DYE WAKO PURE CHEM IND LTD (JP) 2011-11-30 EP disclosed
US-20090069546-A1 PYRAZOLE-BASED CYANINE DYE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-12 US disclosed
EP-2006289-A1 PYRAZOLE-TYPE CYANINE DYE Wako Pure Chemical Industries, Ltd. (JP) 2008-12-24 EP disclosed
CN-1133304-A N-sulfamino-polymer, fibre formed from it, and their magnetic recording medium SANYO CHEMICAL IND LTD (JP) 1996-10-16 CN 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 (1 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-20090069546-A1 PYRAZOLE-BASED CYANINE DYE CBR3, CYB5R3, TST SMN1; SMN2 4165/4885CA2 31/4885CA12 10/4885

“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.