SCHEMBL1099307

SCHEMBL1099307

[O]CCN1CCS(=O)(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
NPC1 O15118 1/20 0.36
ADRA2B P18089 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL1097457 0.85 KMT2A (0.37) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL23226887 0.82 ALDH1A1 (0.39) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL178300 0.79 KMT2A (0.44) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL6044102 0.78 KMT2A (0.42) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL356238 0.77 KMT2A (0.38) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL479863 0.77 ALOX15 (0.57) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL1099428 0.77 KMT2A (0.38) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL22025526 0.77 KMT2A (0.42) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL898008 0.77 ALDH1A1 (0.43) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL9157084 0.77 KMT2A (0.42) KMT2AMEN1CYP2C19ALDH1A1CYP1A2

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 261 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO claimed
US-9724333-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2017-08-08 US claimed
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE GREEN TECH CO., LTD. (JP) 2016-08-11 US claimed
US-9321752-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-04-26 US claimed
US-20150252029-A1 Novel Pyrazole Derivative GREEN TECH CO., LTD. (JP) 2015-09-10 US claimed
EP-2907805-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2015-08-19 EP claimed
EP-2507210-B1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2015-04-08 EP claimed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 US claimed
EP-2507210-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Novartis AG (CH) 2012-10-10 EP claimed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP claimed
WO-2001094341-A9 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2003-04-17 WO claimed
EP-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 EP claimed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO claimed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP claimed
WO-2002034744-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-05-02 WO claimed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 WO claimed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, PSEN1, MAPT KMT2A 3488/4885MEN1 4329/4885CYP2C19 3901/4885
US-20150252029-A1 Novel Pyrazole Derivative PSEN2, PSEN1, MAPT KMT2A 3488/4885MEN1 4329/4885CYP2C19 3901/4885

“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.