SCHEMBL7350753

SCHEMBL7350753

NC(CSc1cccs1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.52
MMP1 P03956 3/20 0.44
FCER2 P06734 2/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGFR P43088 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41

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
SCHEMBL503186 1.00 KIF11 (0.52) KIF11MMP1FCER2MAPTHPGD
SCHEMBL7442311 0.81 NPC1 (0.46) KIF11MMP1FCER2MAPTHPGD
SCHEMBL7442301 0.81 NPC1 (0.46) KIF11MMP1FCER2MAPTHPGD
SCHEMBL4573064 0.76 MMP1 (0.50) MMP1FCER2MAPTHPGDCYP2C19
SCHEMBL4573057 0.76 MMP1 (0.50) MMP1FCER2MAPTHPGDCYP2C19
SCHEMBL6282249 0.75 PTGER1 (0.51) MMP1FCER2MAPTHPGDCYP2C19
SCHEMBL20393464 0.75 MMP1 (0.48) MMP1FCER2MAPTHPGDNPC1
SCHEMBL7247505 0.75 MAOA (0.50) MMP1FCER2MAPTHPGDNPC1
SCHEMBL11386082 0.74 KMT2A (0.58) KIF11MAPTHPGDCYP2C19NPC1
SCHEMBL11386091 0.74 KMT2A (0.58) KIF11MAPTHPGDCYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3348567-B1 NOVEL O-PHOSPHOSERINE EFFLUX PROTEIN VARIANT AND METHOD FOR PRODUCING O-PHOSPHOSERINE, CYSTEINE AND DERIVATIVE THEREOF USING SAME CJ CHEILJEDANG CORP (KR) 2020-08-05 EP claimed
EP-3181685-B1 O-PHOSPHOSERINE PRODUCING MICROORGANISM AND METHOD FOR PRODUCING O-PHOSPHOSERINE OR L-CYSTEINE USING SAME CJ CHEILJEDANG CORP (KR) 2019-08-14 EP claimed
US-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed
US-5646167-A ADMINISTERED AS METALLOPROTEINASE INHIBITOR, ANTITUMOR OR ANTICARCINOGENIC AGENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
WO-1996040101-A1 CERTAIN ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACIDS FOR THE TREATMENT OF CERTAIN TUMORS NOVARTIS AG (CH) 1996-12-19 WO disclosed
US-5552419-A METALLOPROTEINASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed