SCHEMBL5221653

SCHEMBL5221653

Cc1ccccc1C(=O)NC(C(=O)O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
PYGL P06737 1/20 0.53
CYP2C9 P11712 1/20 0.53
CCR1 P32246 1/20 0.51
CA2 P00918 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
TYK2 P29597 1/20 0.46
THRB P10828 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
FFAR1 O14842 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL4682849 0.86 CNR2 (0.50) HPGDCCR1SMN1; SMN2TYK2THRB
SCHEMBL29607625 0.85 ALDH1A1 (0.51) PYGLCYP2C9CA2L3MBTL1MEN1
SCHEMBL6225103 0.81 POLB (0.47) HPGDPYGLCYP2C9CA2LMNA
SCHEMBL7897280 0.80 CA2 (0.65) HPGDPYGLCYP2C9CCR1CA2
SCHEMBL4680240 0.80 CA2 (0.65) HPGDPYGLCYP2C9CCR1CA2
SCHEMBL21274872 0.79 ALDH1A1 (0.56) HPGDPYGLCYP2C9CCR1CA2
SCHEMBL21274871 0.79 ALDH1A1 (0.56) HPGDPYGLCYP2C9CCR1CA2
SCHEMBL12031902 0.79 CCR1 (0.67) HPGDCCR1SMN1; SMN2L3MBTL1NPSR1
Hydrochloric Acid SCHEMBL4682469 0.77 HPGD (0.47) HPGDCYP2C9CCR1SMN1; SMN2TYK2
SCHEMBL76387 0.77 KCNK3 (0.47) HPGDPYGLCYP2C9CCR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HPGD 1616/4885PYGL 1558/4885CYP2C9 3338/4885

“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.