SCHEMBL7309316

SCHEMBL7309316

COC(=S)C(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
TSHR P16473 4/20 0.41
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MIF P14174 2/20 0.35
CYP2C19 P33261 2/20 0.35
CHRM2 P08172 1/20 0.35
ADRA1A P35348 1/20 0.35
RGS12 O14924 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL5565864 0.78 KMT2A (0.47) KMT2ATSHRALDH1A1LMNAHTT
SCHEMBL9098391 0.77 KMT2A (0.45) KMT2ATSHRPTGS1PTGS2ALDH1A1
SCHEMBL6829889 0.77 LMNA (0.46) KMT2ATSHRALDH1A1ALOX12LMNA
SCHEMBL24445379 0.77 LMNA (0.46) KMT2ATSHRALDH1A1ALOX12LMNA
SCHEMBL5094455 0.77 KMT2A (0.45) KMT2ATSHRPTGS1PTGS2ALDH1A1
SCHEMBL1526022 0.75 KMT2A (0.64) KMT2ATSHRPTGS1PTGS2ALDH1A1
SCHEMBL1157664 0.75 TSHR (0.50) KMT2ATSHRCA12CA1CA2
SCHEMBL496468 0.72 KMT2A (0.50) KMT2ATSHRPTGS1PTGS2LMNA
SCHEMBL9710799 0.71 KMT2A (0.40) KMT2ATSHRPTGS1PTGS2ALDH1A1
SCHEMBL9710802 0.71 KMT2A (0.40) KMT2ATSHRPTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874432-A Saccharin derivatives useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1999-02-23 US disclosed
EP-0471756-B1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF SANOFI SA (FR) 1997-10-29 EP disclosed
US-5650422-A TREATMENT OF EMPHYSEMA, ARTHRITIS OR PANCREATITIS SANOFI (FR) 1997-07-22 US disclosed
US-5596012-A Saccharin derivatives useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1997-01-21 US disclosed
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US disclosed
US-5236917-A Respiratory system disorders, antiarthritic agents STERLING WINTHROP INC. (US) 1993-08-17 US disclosed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed
EP-0471756-A4 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF 1992-04-08 EP disclosed
EP-0471756-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF. STERLING WINTHROP INC (US) 1992-02-26 EP disclosed
WO-1990013549-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1990-11-15 WO disclosed