SCHEMBL6206324

SCHEMBL6206324

CCOC(=O)C(Cc1ccc(O)c(I)c1)NC(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.46
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.41
F10 P00742 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
FOLH1 Q04609 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
SCHEMBL6207439 0.92 POLB (0.46) CDK2MAPK1ALDH1A1MAPTTDP1
SCHEMBL6185853 0.79 ALDH1A1 (0.53) CDK2MAPK1ALDH1A1MAPTMEN1
SCHEMBL6185845 0.79 ALDH1A1 (0.53) CDK2MAPK1ALDH1A1MAPTMEN1
SCHEMBL6208313 0.74 CTSL (0.53)
SCHEMBL6208306 0.74 CTSL (0.53)
SCHEMBL16021246 0.73 FOLH1 (0.49) ALDH1A1POLBTP53FOLH1
SCHEMBL6185005 0.73 F10 (0.41) CDK2MAPK1ALDH1A1MAPTTDP1
SCHEMBL6185000 0.73 F10 (0.41) CDK2MAPK1ALDH1A1MAPTTDP1
SCHEMBL6268987 0.73 CTSK (0.49)
SCHEMBL6268990 0.73 CTSK (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282871-A1 3-(3,5-Disubstituted-4-hydroxyphenyl)propionamide derivatives as cathepsin b inhibitors BURRILL II LELAND C 2005-12-22 US disclosed
US-20050171101-A1 Phenanthridinones as parp inhibitors FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-08-04 US disclosed
EP-1539725-A1 3-(3,5-DISUBSTITUTED-4-HYDROXYPHENYL)PROPIONAMIDE DERIVATIVES AS CATHEPSIN B INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-06-15 EP disclosed
WO-2004026851-A1 3-(3,5-DISUBSTITUTED-4-HYDROXYPHENYL)PROPIONAMIDE DERIVATIVES AS CATHEPSIN B INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-04-01 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 (2 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-20050171101-A1 Phenanthridinones as parp inhibitors PARP1, PARP11, PARP2 CDK2 261/4885MAPK1 1190/4885ALDH1A1 420/4885
US-20050282871-A1 3-(3,5-Disubstituted-4-hydroxyphenyl)propionamide derivatives as cathepsin b inhibitors CTSB, CTSZ, CTSS CDK2 1277/4885MAPK1 4454/4885ALDH1A1 1461/4885

“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.