SCHEMBL5116472

SCHEMBL5116472

Cc1c(N(CC(=O)O)S(=O)(=O)NC(=O)OC(C)(C)C)csc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
MAPT P10636 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 6/20 0.38
MAPK1 P28482 1/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 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
SCHEMBL5116469 1.00 ALOX5 (0.42) ALOX5MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5117806 0.93 ALOX5 (0.42) ALOX5MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5123264 0.80 CA12 (0.39) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL5128482 0.79 ALDH1A1 (0.32) MAPTSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL5118668 0.76 ALDH1A1 (0.46) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL5127766 0.70 CA12 (0.39) MAPTSMN1; SMN2RAB9AALDH1A1MAPK1
SCHEMBL5123712 0.70 CA12 (0.39) MAPTSMN1; SMN2RAB9AALDH1A1MAPK1
SCHEMBL5117872 0.65 MAPT (0.49) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL15485391 0.64 FFAR1 (0.55)
SCHEMBL2473675 0.64 CA12 (0.66) ALOX5MAPTSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 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 (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-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR ALOX5 4347/4885MAPT 3063/4885SMN1; SMN2 4322/4885

“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.