SCHEMBL1021941

SCHEMBL1021941

O=S(=O)(NCCc1ccccc1O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
ALDH1A1 P00352 4/20 0.53
SGMS1 Q86VZ5 2/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
MMP2 P08253 2/20 0.49
ADAMTS4 O75173 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
MPO P05164 1/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
BCL2L1 Q07817 1/20 0.46

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
SCHEMBL1022817 0.84 ALDH1A1 (0.62) TAAR1ALDH1A1FFAR1FFAR4SMN1; SMN2
SCHEMBL3535555 0.79 ALDH1A1 (0.60) ALDH1A1MEN1MAPTKMT2ACA12
SCHEMBL1287326 0.79 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATP53CA1
SCHEMBL4516002 0.77 TAAR1 (0.70) TAAR1ALDH1A1SGMS1FFAR1FFAR4
SCHEMBL1022446 0.74 LTA4H (0.52) SMN1; SMN2HTTKMT2A
SCHEMBL6337882 0.73 ALDH1A1 (0.64) TAAR1ALDH1A1FFAR1FFAR4SMN1; SMN2
SCHEMBL21569712 0.73 AKR1C3 (0.45) ALDH1A1MEN1KMT2AMPOPKM
SCHEMBL1022836 0.72 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTMEN1MAPT
SCHEMBL13073499 0.72 TAAR1 (1.00) TAAR1ALDH1A1SGMS1MEN1MAPT
SCHEMBL9178303 0.72 TBXA2R (0.53) LMNA

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
EP-1869001-B1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-7858619-B2 Substituted tetrahydroisochinolines as MMP inhibitors, related production method and use as medicine SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (FR) 2008-04-17 US disclosed
EP-1869001-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE Sanofi-Aventis (FR) 2007-12-26 EP disclosed
WO-2006102998-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (DE) 2006-10-05 WO 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-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE MMP9, MMP3, MMP2 TAAR1 1630/4885ALDH1A1 304/4885SGMS1 3045/4885

“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.