SCHEMBL6362005

SCHEMBL6362005

CCCc1ccncc1B(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 4/20 0.45
CYP2C8 P10632 4/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2A6 P11509 4/20 0.45
CYP2B6 P20813 4/20 0.45
CYP2C19 P33261 4/20 0.45
CYP2C9 P11712 3/20 0.45
LIPG Q9Y5X9 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
AOC1 P19801 5/20 0.39
AOC3 Q16853 5/20 0.39
LPL P06858 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
CXCR2 P25025 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL29953418 1.00 CYP2E1 (0.45) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL20519975 0.84 CYP2E1 (0.42) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL29956492 0.84 CYP2E1 (0.42) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL20519210 0.80 ENPP2 (0.35) LIPGAOC1AOC3LOXL2CXCR2
SCHEMBL15476059 0.79 AOC1 (0.31) LIPGAOC1AOC3LOXL2
SCHEMBL18362685 0.78 LOXL2 (0.38) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL10954433 0.77 CYP2E1 (0.51) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL13625787 0.76 CYP2E1 (0.47) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL20519199 0.76 CYP11B2 (0.43) AOC1AOC3TDP1LOXL2
SCHEMBL28983721 0.76 CHRNB2 (0.43) CYP2D6CYP2A6CYP2C19CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059726-A1 Pyrrolidine-2-ones as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-03-17 US disclosed
EP-1456172-A1 PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
WO-2003053925-A1 PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-07-03 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-20050059726-A1 Pyrrolidine-2-ones as factor xa inhibitors TFPI, F2, SERPINC1 CYP2E1 2775/4885CYP2C8 1313/4885CYP2D6 1433/4885

“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.