SCHEMBL4003748

SCHEMBL4003748

CCS(=O)(=O)c1ccc(N)c(NCC2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.46
BRD4 O60885 3/20 0.45
CNR2 P34972 5/20 0.44
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
LRRK2 Q5S007 1/20 0.40
PTGER4 P35408 1/20 0.39
ALDH1A1 P00352 1/20 0.37
ALDH3A1 P30838 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 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
SCHEMBL3997147 0.90 RORC (0.48) RORCBRD4CNR2PTGS1PTGS2
SCHEMBL4003566 0.85 RORC (0.47) RORCBRD4CNR2LMNAPTGS1
SCHEMBL4000252 0.81 MEN1 (0.56) RORCBRD4LMNAALDH1A1
SCHEMBL3997265 0.81 KMT2A (0.54) CNR2LMNAALDH1A1
SCHEMBL3995363 0.80 BRD4 (0.55) RORCBRD4CNR2PTGER4ALDH1A1
SCHEMBL3994829 0.79 ALDH1A1 (0.51) RORCBRD4CNR2PTGS1PTGS2
SCHEMBL1700398 0.77 BRD4 (0.48) RORCBRD4CNR2PTGS1PTGS2
SCHEMBL16035266 0.76 PTGER4 (0.41) CNR2PTGER4HDAC3HDAC1HDAC2
SCHEMBL3994377 0.76 JAK2 (0.39) BRD4CNR2PTGS1PTGS2LRRK2
SCHEMBL15068117 0.76 BRD4 (0.44) RORCBRD4CNR2PTGS1PTGS2

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 RORC 78/4885BRD4 207/4885CNR2 2/4885

“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.