SCHEMBL898008

SCHEMBL898008

O=S1(=O)CCN(CCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 7/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP1A2 P05177 1/20 0.35
HSD11B1 P28845 1/20 0.35
NPC1 O15118 1/20 0.35
SLC18A3 Q16572 1/20 0.34
CYP2D6 P10635 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
RAB9A P51151 1/20 0.32
ADRA2B P18089 1/20 0.32
HRH1 P35367 1/20 0.32

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
Hydrochloric Acid SCHEMBL5889035 0.98 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1097459 0.86 KMT2A (0.36) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL2850740 0.84 PAOX (0.37) ALDH1A1KMT2AMEN1CYP2C19CYP1A2
SCHEMBL12550634 0.82 PAOX (0.40) ALDH1A1KMT2AMEN1CYP2C19CYP1A2
SCHEMBL12550637 0.82 PAOX (0.40) ALDH1A1KMT2AMEN1CYP2C19CYP1A2
SCHEMBL12550633 0.82 PAOX (0.40) ALDH1A1KMT2AMEN1CYP2C19CYP1A2
SCHEMBL6044110 0.79 KMT2A (0.41) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL12698039 0.79 ACE2 (0.41) ALDH1A1KDM4EKMT2AMEN1CYP2C19
SCHEMBL3492657 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL178300 0.77 KMT2A (0.44) ALDH1A1KMT2AMEN1LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US claimed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 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
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 ALDH1A1 1975/4885KDM4E 4095/4885KMT2A 3488/4885
US-20150252029-A1 Novel Pyrazole Derivative PSEN2, PSEN1, MAPT ALDH1A1 1975/4885KDM4E 4095/4885KMT2A 3488/4885

“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.