SCHEMBL3917830

SCHEMBL3917830

COc1ccc2[nH]c([S+]([O-])Cc3ccc(C)cc3N)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.42
ATP4B P51164 5/20 0.42
MAPT P10636 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
FLT3 P36888 2/20 0.36
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
AXL P30530 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6475624 0.92 ATP4A (0.48) ATP4AATP4BMAPTALDH1A1MEN1
SCHEMBL3695840 0.91 ATP4A (0.52) ATP4AATP4BALDH1A1MEN1KMT2A
SCHEMBL6474148 0.86 ATP4A (0.47) ATP4AATP4BMAPTALDH1A1MEN1
SCHEMBL6481789 0.84 ATP4A (0.36) ATP4AATP4BMAPTALDH1A1MEN1
SCHEMBL6475880 0.83 ATP4A (0.49) ATP4AATP4BMAPTALDH1A1MEN1
SCHEMBL6476845 0.82 ATP4A (0.50) ATP4AATP4BMAPTALDH1A1MEN1
SCHEMBL12809663 0.81 ATP4A (0.38) ATP4AATP4BMAPTALDH1A1MEN1
SCHEMBL8381037 0.81 VCP (0.40) ATP4AATP4BMAPTALDH1A1MEN1
SCHEMBL6475030 0.80 ATP4A (0.45) ATP4AATP4BMAPTALDH1A1MEN1
SCHEMBL8812759 0.80 ALDH1A1 (0.35) ATP4AATP4BMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
EP-1971363-A1 COMBINATION TREATMENTS WITH GASTRIN AGONISTS FOR DIABETES AND RELATED DISEASES Waratah Pharmaceuticals, Inc. (CA) 2008-09-24 EP disclosed
EP-1951286-A1 COMBINED USE OF DPP IV INHIBITORS AND GASTRIN COMPOUNDS Waratah Pharmaceuticals, Inc. (CA) 2008-08-06 EP disclosed
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-08-09 US disclosed
WO-2007062531-A1 COMBINATION TREATMENTS WITH GASTRIN AGONISTS FOR DIABETES AND RELATED DISEASES WARATAH PHARMACEUTICALS, INC. (CA) 2007-06-07 WO disclosed
WO-2007041833-A1 COMBINED USE OF DPP IV INHIBITORS AND GASTRIN COMPOUNDS WARATAH PHARMACEUTICALS, INC. (CA) 2007-04-19 WO disclosed
US-20070082892-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-04-12 US disclosed
US-7105558-B2 Gastrin and cholecystokinin receptor lignads (iv) THE JAMES BLACK FOUNDATION LIMITED (GB) 2006-09-12 US disclosed
WO-2006051312-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2006-05-18 WO disclosed
US-7034048-B2 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2006-04-25 US disclosed
US-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-23 US disclosed
US-20030195237-A1 Gastrin and cholecystokinin receptor lignads (iv) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-16 US disclosed
US-20030195240-A1 Pharmaceutical compositions comprising proton pump inhibitors and gastrin/cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-16 US disclosed
US-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-09 US disclosed
WO-2003041714-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2003-05-22 WO disclosed
WO-2001090078-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKIN IN RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-29 WO disclosed
WO-2001085704-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (IV) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed
WO-2001085724-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (III) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed
WO-2001085723-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (II) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed
WO-1993012817-A1 THERAPEUTIC COMBINATIONS USEFUL IN THE TREATMENT OF GASTROESOPHAGEAL REFLUX DISEASE WARNER-LAMBERT COMPANY (US) 1993-07-08 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 (6 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-20030195237-A1 Gastrin and cholecystokinin receptor lignads (iv) CCKAR, CCKBR, GRPR ATP4A 3174/4885ATP4B 2600/4885MAPT 4796/4885
US-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) CCKAR, CCKBR, GRPR ATP4A 1849/4885ATP4B 2902/4885MAPT 4833/4885
US-20070082892-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR ATP4A 1951/4885ATP4B 1893/4885MAPT 2666/4885
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR ATP4A 1951/4885ATP4B 1893/4885MAPT 2666/4885
US-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) GRPR, CCKBR, GIPR ATP4A 1033/4885ATP4B 1138/4885MAPT 4604/4885
US-20030195240-A1 Pharmaceutical compositions comprising proton pump inhibitors and gastrin/cholecystokinin receptor ligands GIPR, CCKAR, CCKBR ATP4A 557/4885ATP4B 644/4885MAPT 4770/4885

“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.