SCHEMBL4682004

SCHEMBL4682004

Cc1ccc(C(=O)NC(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.70
CA2 P00918 2/20 0.67
CA1 P00915 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.65
ACE P12821 2/20 0.63
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
MMP9 P14780 1/20 0.59
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.58
CTSL P07711 2/20 0.57
CTSS P25774 2/20 0.57
CTSK P43235 2/20 0.57
CTSB P07858 1/20 0.56
GPR132 Q9UNW8 2/20 0.56
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL4166657 1.00 PTPN1 (0.70) PTPN1CA2CA1L3MBTL1ACE
SCHEMBL10526607 1.00 PTPN1 (0.70) PTPN1CA2CA1L3MBTL1ACE
SCHEMBL16768861 0.94 PTPN1 (0.66) PTPN1CA2CA1L3MBTL1ACE
SCHEMBL15096029 0.91 PTPN1 (0.58) PTPN1CA2CA1L3MBTL1ALDH1A1
SCHEMBL10662333 0.89 PTPN1 (0.57) PTPN1CA2CA1L3MBTL1ACE
SCHEMBL10662340 0.89 PTPN1 (0.57) PTPN1CA2CA1L3MBTL1ACE
SCHEMBL528464 0.89 ACE (0.76) PTPN1CA2CA1L3MBTL1ACE
SCHEMBL111235 0.89 ACE (0.76) PTPN1CA2CA1L3MBTL1ACE
SCHEMBL111236 0.89 ACE (0.76) PTPN1CA2CA1L3MBTL1ACE
SCHEMBL4684065 0.88 HPGDS (0.65) PTPN1CA2CA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258356-B1 CHEMICAL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST DENGUE VIRUS AND OTHER FLAVIVIRUSES CT INGENIERIA GENETICA BIOTECNOLOGIA (CU) 2017-09-27 EP disclosed
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US 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 (1 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 PTPN1 4617/4885CA2 369/4885CA1 667/4885

“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.