SCHEMBL754845

SCHEMBL754845

CS(=O)(=O)N(Cl)CC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 2/20 0.47
GSK3B P49841 2/20 0.47
TRPA1 O75762 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 3/20 0.46
USP2 O75604 2/20 0.46
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45
AGTR1 P30556 1/20 0.44
RECQL P46063 1/20 0.42
PTPN1 P18031 2/20 0.42
HSD11B1 P28845 3/20 0.42

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
SCHEMBL11609924 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL11217229 0.74 ALDH1A1 (0.53) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL5899607 0.74 HSD11B1 (0.57) ALDH1A1MAPK1KDM4EUSP2KMT2A
SCHEMBL29443145 0.73 ALDH1A1 (0.54) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL11310955 0.73 ALDH1A1 (0.51) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL182321 0.72 ALDH1A1 (0.78) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL11288690 0.72 GSK3B (0.62) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL5899593 0.71 KMT2A (0.54) KMT2AMAPTMEN1TDP1HPGD
SCHEMBL6348260 0.71 MMP9 (0.46) ALDH1A1MAPK1KDM4EUSP2KMT2A
SCHEMBL1699941 0.71 RECQL (0.58) ALDH1A1MAPK1GSK3BTRPA1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318782-B2 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-27 US disclosed
EP-1847534-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2012-03-21 EP disclosed
US-20110275827-A1 Mitotic Kinesin Inhibitor FUJIFILM CORPORATION (JP) 2011-11-10 US disclosed
EP-1454903-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-10-05 EP disclosed
EP-1847534-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-06-22 EP disclosed
EP-2327702-A1 Mitotic kinesin inhibitor Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 EP disclosed
US-7902234-B2 Thiadiazoline derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-08 US disclosed
US-20110004000-A1 Mitotic Kinesin Inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-01-06 US disclosed
US-7851635-B2 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-12-14 US disclosed
US-20100240716-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-09-23 US disclosed
EP-1454903-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP disclosed
US-7759371-B2 Thiadiazoline derivative Kyowa Hakko Kinn Co., Ltd. (JP) 2010-07-20 US disclosed
US-7425636-B2 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-09-16 US disclosed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US disclosed
EP-1847534-A2 Thiadiazoline derivative Kyowa Hakko Kogyo Co., Ltd (JP) 2007-10-24 EP disclosed
US-20070213380-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-09-13 US disclosed
US-20070155804-A1 Mitotic kinesin inhibitor KYOWA HAKKO KOGYO CO., LTD. OF TOKYO, JAPAN FUJI PHOTO FILM CO., LTD. KANAGAWA, JAPAN 2007-07-05 US disclosed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US disclosed
EP-1616866-A1 M-STAGE KINESIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-01-18 EP disclosed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP 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 (7 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-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 ALDH1A1 343/4885MAPK1 883/4885GSK3B 3377/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885MAPK1 553/4885GSK3B 633/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 ALDH1A1 343/4885MAPK1 883/4885GSK3B 3377/4885
US-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885MAPK1 553/4885GSK3B 633/4885
US-20100240716-A1 THIADIAZOLINE DERIVATIVE BRWD1, WDR82, RB1 ALDH1A1 459/4885MAPK1 965/4885GSK3B 2890/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 ALDH1A1 343/4885MAPK1 883/4885GSK3B 3377/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885MAPK1 553/4885GSK3B 633/4885

“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.