SCHEMBL4003328

SCHEMBL4003328

CCS(=O)(=O)c1ccc(NCC2CCCO2)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NR2F2 P24468 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
HCAR3 P49019 1/20 0.46
SLC12A2 P55011 1/20 0.46
SLC12A5 Q9H2X9 1/20 0.46
CNR2 P34972 2/20 0.45
LMNA P02545 2/20 0.45
CXCR4 P61073 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL4000515 0.96 KMT2A (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2NR2F2
SCHEMBL3997265 0.91 KMT2A (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2NR2F2
SCHEMBL3999131 0.83 KMT2A (0.82) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3995363 0.81 BRD4 (0.55) ALDH1A1CNR2
SCHEMBL3997147 0.81 RORC (0.48) KMT2AMEN1ALDH1A1CNR2
SCHEMBL3998713 0.80 KMT2A (0.77) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3999074 0.77 KMT2A (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4967041 0.77 KDM4E (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4967937 0.76 HPGD (0.57) KMT2AMEN1ALDH1A1MAPTHCAR3
SCHEMBL1962657 0.74 KCNH3 (0.55) KMT2AALDH1A1SMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598393-B2 Sulfonyl benzimidazole derivatives PFIZER INC. (US) 2009-10-06 US disclosed
EP-1809607-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2008-12-17 EP disclosed
US-20060094750-A1 Sulfonyl benzimidazole derivatives KON-I KANA 2006-05-04 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 (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-20060094750-A1 Sulfonyl benzimidazole derivatives TRPV1, CNR2, CNR1 KMT2A 4021/4885MEN1 3669/4885ALDH1A1 2810/4885

“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.