SCHEMBL799217

SCHEMBL799217

C[C@H]1CN(C)CCN1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
ACHE P22303 1/20 0.35
SMYD3 Q9H7B4 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HSD11B1 P28845 2/20 0.31
IDH1 O75874 1/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL799197 1.00 TP53 (0.45) TP53ALDH1A1RECQLKDM4ELMNA
SCHEMBL356809 1.00 TP53 (0.45) TP53ALDH1A1RECQLKDM4ELMNA
SCHEMBL25154266 0.78 TP53 (0.45) TP53ALDH1A1RECQLKDM4ELMNA
SCHEMBL16473537 0.77 TP53 (0.44) TP53ALDH1A1RECQLKDM4ELMNA
SCHEMBL24377565 0.77 TP53 (0.44) TP53ALDH1A1RECQLKDM4ELMNA
SCHEMBL18080915 0.77 TP53 (0.44) TP53ALDH1A1RECQLKDM4ELMNA
SCHEMBL18081092 0.77 TP53 (0.44) TP53ALDH1A1RECQLKDM4ELMNA
SCHEMBL25154319 0.77 TP53 (0.44) TP53ALDH1A1RECQLKDM4ELMNA
SCHEMBL16473467 0.77 TP53 (0.44) TP53ALDH1A1RECQLKDM4ELMNA
SCHEMBL356808 0.77 TP53 (0.44) TP53ALDH1A1RECQLKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 EP disclosed
EP-2920183-B1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-03-08 EP disclosed
WO-2014078257-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-22 WO disclosed
US-8404708-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404708-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2011-07-21 US disclosed
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2011-07-21 US disclosed
US-7939533-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-7939533-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2009-05-28 US disclosed
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2009-05-28 US disclosed
EP-1643998-B1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA HOFFMANN LA ROCHE (CH) 2007-08-29 EP disclosed
WO-2005002577-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO 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 (3 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-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 TP53 4786/4885ALDH1A1 1516/4885RECQL 4872/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 TP53 302/4885ALDH1A1 2409/4885RECQL 1340/4885
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 TP53 4786/4885ALDH1A1 1516/4885RECQL 4872/4885

“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.