SCHEMBL6802269

SCHEMBL6802269

N=C(N)c1ccc(C(=O)O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.44
KLK1 P06870 3/20 0.44
KLK5 Q9Y337 1/20 0.44
PRSS1 P07477 8/20 0.43
F2 P00734 4/20 0.43
PLG P00747 3/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
C1S P09871 1/20 0.43
F10 P00742 2/20 0.43
TMPRSS15 P98073 4/20 0.42
DGAT1 O75907 1/20 0.42
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
KLKB1 P03952 2/20 0.41
PLAT P00750 1/20 0.41
NQO2 P16083 1/20 0.40

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
SCHEMBL392941 0.85 DGAT1 (0.48) DGAT1EPHX2NR1H4
SCHEMBL6808471 0.84 ALDH1A1 (0.46) PLAUKLK1KLK5PRSS1F2
Hydrochloric Acid SCHEMBL7034435 0.82 ALDH1A1 (0.44) PLAUKLK1KLK5PRSS1F2
SCHEMBL460421 0.82 LMNA (0.55) EPHX2NR1H4
SCHEMBL19450839 0.81 DGAT1 (0.42) DGAT1EPHX2NR1H4
Hydrochloric Acid SCHEMBL26689957 0.80 LMNA (0.53) EPHX2NR1H4
Hydrochloric Acid SCHEMBL4957114 0.80 LMNA (0.53) EPHX2NR1H4
SCHEMBL25458525 0.79 ALDH1A1 (0.49) PLAUKLK1PRSS1F2PLG
Iodide SCHEMBL10426220 0.79 CDC25A (0.47) PLAUKLK1PRSS1F2PLG
SCHEMBL19014876 0.79 KDM1A (0.42) DGAT1EPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014994-A1 Method for resolving chiral (2s) and (2r) chromanes ELI LILLY AND COMPANY 2004-01-22 US disclosed
EP-1292588-A1 METHODS FOR RESOLVING CHIRAL (2S) AND (2R) CHROMANES Eli Lilly & Company (US) 2003-03-19 EP disclosed
EP-1286982-A2 PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYLIC COMPOUNDS AND CHIRAL BNEZOPYRAN DERIVATIVES Eli Lilly & Company (US) 2003-03-05 EP disclosed
WO-2001094333-A2 PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYCLIC COMPOUNDS AND CHIRAL BENZOPYRAN DERIVATIVES ELI LILLY & COMPANY (US) 2001-12-13 WO disclosed
WO-2001094334-A1 METHODS FOR RESOLVING CHIRAL (2S) AND (2R) CHROMANES ELI LILLY & COMPANY (US) 2001-12-13 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-20040014994-A1 Method for resolving chiral (2s) and (2r) chromanes TBXA2R, TBXAS1, SRR PLAU 425/4885KLK1 3381/4885KLK5 4212/4885

“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.