SCHEMBL754989

SCHEMBL754989

CCC(=O)c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
POLB P06746 1/20 0.65
HPGD P15428 2/20 0.54
F2 P00734 1/20 0.52
TP53 P04637 1/20 0.52
NR3C1 P04150 3/20 0.51
PGR P06401 2/20 0.51
NR3C2 P08235 2/20 0.51
AR P10275 2/20 0.51
PTGS2 P35354 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.48
KEAP1 Q14145 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL8563551 0.87 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2POLBHPGDF2
SCHEMBL1120803 0.86 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBHPGDF2
SCHEMBL14038512 0.82 CA2 (0.51) ALDH1A1SMN1; SMN2POLBPTGS2L3MBTL1
SCHEMBL334530 0.81 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBHPGDHTT
SCHEMBL1677059 0.81 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2POLBHPGDKEAP1
SCHEMBL29522198 0.81 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2POLBHPGDKEAP1
SCHEMBL1490874 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBHPGDF2
SCHEMBL11949257 0.81 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2POLBHPGDNR3C1
SCHEMBL17740263 0.81 POLB (0.65) ALDH1A1SMN1; SMN2POLBHPGDF2
SCHEMBL14427549 0.81 POLB (0.66) ALDH1A1SMN1; SMN2POLBL3MBTL1DHX9

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 34 patents — showing the first 20. 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-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 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-7910611-B2 Therapeutic agent for restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-22 US 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
EP-1870404-A1 AGENT FOR TREATMENT OF HEMATOPOIETIC TUMOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-12-26 EP disclosed
EP-1867640-A1 AGENT FOR TREATMENT OF SOLID TUMOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-12-19 EP disclosed
EP-1847534-A2 Thiadiazoline derivative Kyowa Hakko Kogyo Co., Ltd (JP) 2007-10-24 EP disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US 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
CN-1109050-A Catecholamine surrogates useful as beta3 agonists BRISTOL MYERS SQUIBB CO (US) 1995-09-27 CN 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 (5 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 343/4885SMN1; SMN2 3912/4885POLB 3345/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885SMN1; SMN2 2224/4885POLB 773/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 ALDH1A1 343/4885SMN1; SMN2 3912/4885POLB 3345/4885
US-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885SMN1; SMN2 2224/4885POLB 773/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885SMN1; SMN2 2224/4885POLB 773/4885

“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.