SCHEMBL7335191

SCHEMBL7335191

CC(C)C(NS(=O)(=O)CCc1ccncc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.52
ADAMTS4 O75173 7/20 0.52
ADAM17 P78536 1/20 0.52
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MMP2 P08253 8/20 0.42
MMP3 P08254 8/20 0.42
MMP1 P03956 7/20 0.42
MMP7 P09237 7/20 0.42
MMP9 P14780 7/20 0.42
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP14 P50281 1/20 0.40

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
SCHEMBL7335195 1.00 MMP13 (0.52) MMP13ADAMTS4ADAM17GAAMAPT
SCHEMBL7336565 0.83 ADAM17 (0.46) MMP13ADAMTS4ADAM17ALDH1A1MMP1
SCHEMBL4331283 0.79 ADAMTS4 (0.49) MMP13ADAMTS4GAAMAPTALDH1A1
SCHEMBL4331282 0.79 ADAMTS4 (0.49) MMP13ADAMTS4GAAMAPTALDH1A1
SCHEMBL7401699 0.79 CA2 (0.51) ADAM17ALDH1A1
SCHEMBL7332493 0.79 CA2 (0.51) ADAM17ALDH1A1
SCHEMBL7332133 0.77 ADAMTS4 (0.55) MMP13ADAMTS4MAPTALDH1A1MMP2
SCHEMBL7332138 0.77 ADAMTS4 (0.55) MMP13ADAMTS4MAPTALDH1A1MMP2
SCHEMBL14843359 0.73 ALDH1A1 (0.49) MMP13ADAMTS4GAAMAPTALDH1A1
SCHEMBL14843210 0.73 ALDH1A1 (0.49) MMP13ADAMTS4GAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed