SCHEMBL940571

SCHEMBL940571

NC(=S)NN=C(CNC(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.54
ATM Q13315 1/20 0.47
METTL3 Q86U44 1/20 0.47
CTSK P43235 2/20 0.46
CTSB P07858 2/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8037943 0.83 CTSL (0.59) CTSLATMMETTL3CTSKGAA
SCHEMBL8037941 0.83 CTSL (0.59) CTSLATMMETTL3CTSKGAA
SCHEMBL8038235 0.82 ATM (0.58) CTSLATMMETTL3CTSKCTSB
SCHEMBL8038231 0.82 ATM (0.58) CTSLATMMETTL3CTSKCTSB
SCHEMBL8037952 0.78 CTSL (0.69) CTSLATMMETTL3CTSKCTSB
SCHEMBL8050449 0.78 CTSL (0.54) CTSLATMMETTL3CTSKCTSB
SCHEMBL8037956 0.78 CTSL (0.69) CTSLATMMETTL3CTSKCTSB
SCHEMBL8050447 0.78 CTSL (0.54) CTSLATMMETTL3CTSKCTSB
SCHEMBL941094 0.78 CTSL (0.50) CTSLATMMETTL3CTSKCTSB
SCHEMBL25408895 0.76 CTSL (0.66) CTSLATMMETTL3CTSKCTSB

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 18 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
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-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 CTSL 4237/4885ATM 516/4885METTL3 2876/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B CTSL 4128/4885ATM 648/4885METTL3 4203/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 CTSL 4237/4885ATM 516/4885METTL3 2876/4885
US-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B CTSL 4128/4885ATM 648/4885METTL3 4203/4885
US-20100240716-A1 THIADIAZOLINE DERIVATIVE BRWD1, WDR82, RB1 CTSL 4395/4885ATM 651/4885METTL3 2787/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 CTSL 4237/4885ATM 516/4885METTL3 2876/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B CTSL 4128/4885ATM 648/4885METTL3 4203/4885

“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.