SCHEMBL2197971

SCHEMBL2197971

COC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP1 P03956 2/20 0.41
ADAM17 P78536 1/20 0.41
MMP8 P22894 2/20 0.40
MMP3 P08254 2/20 0.40
GAA P10253 1/20 0.40
MMP2 P08253 3/20 0.40
ANPEP P15144 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
KCNQ1 P51787 1/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MMP7 P09237 1/20 0.39

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
SCHEMBL2197974 1.00 TRPA1 (0.41) TRPA1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL14013930 0.89 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1L3MBTL1MMP1
SCHEMBL5405133 0.82 MME (0.43) ALDH1A1KMT2AMMP1MMP3MMP2
SCHEMBL7141396 0.82 MME (0.43) ALDH1A1KMT2AMMP1MMP3MMP2
SCHEMBL2200851 0.82 BRD4 (0.45) TRPA1MMP1ADAM17GAA
SCHEMBL23630452 0.81 ALDH1A1 (0.55) TRPA1ALDH1A1KMT2AMMP1ADAM17
SCHEMBL2197409 0.81 HSD11B1 (0.43) ALDH1A1GAA
SCHEMBL2195517 0.81 ALDH1A1 (0.57) TRPA1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2195521 0.81 ALDH1A1 (0.57) TRPA1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2197382 0.81 CACNA1B (0.40) ALDH1A1KMT2AMEN1GAA

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-2152713-B1 PYRAZOLOPYRROLIDINES AS INHIBITORS OF GAMMA SECRETASE ELAN PHARM INC (US) 2011-09-07 EP disclosed
US-7977368-B2 Pyrazolopyrrolidines as inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7977368-B2 Pyrazolopyrrolidines as inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2009-04-16 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-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase BACE1, BACE2, APP TRPA1 3713/4885ALDH1A1 1141/4885KMT2A 1121/4885

“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.