SCHEMBL6207439

SCHEMBL6207439

CCOC(=O)C(Cc1cc(I)c(O)c(I)c1)NC(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CDK2 P24941 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
F10 P00742 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CSNK1D P48730 1/20 0.41
ATM Q13315 1/20 0.41
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL6206324 0.92 CDK2 (0.46) POLBCDK2MEN1KMT2AMAPK1
SCHEMBL6185845 0.88 ALDH1A1 (0.53) CDK2MEN1KMT2AMAPK1NPC1
SCHEMBL6185853 0.88 ALDH1A1 (0.53) CDK2MEN1KMT2AMAPK1NPC1
SCHEMBL6208306 0.82 CTSL (0.53)
SCHEMBL6208313 0.82 CTSL (0.53)
SCHEMBL6185000 0.81 F10 (0.41) CDK2MEN1KMT2AMAPK1NPC1
SCHEMBL6185005 0.81 F10 (0.41) CDK2MEN1KMT2AMAPK1NPC1
SCHEMBL3932025 0.81 CTSL (0.54) TP53RAB9AALDH1A1LMNA
SCHEMBL6268990 0.81 CTSK (0.49)
SCHEMBL6268987 0.81 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
WO-2005108949-A2 METHODS, COMPOSITIONS AND COMPOUND ASSAYS FOR INHIBITING AMYLOID-BETA PROTEIN PRODUCTION GALAPAGOS N.V. (BE) 2005-11-17 WO 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 (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-20050282871-A1 3-(3,5-Disubstituted-4-hydroxyphenyl)propionamide derivatives as cathepsin b inhibitors CTSB, CTSZ, CTSS POLB 479/4885CDK2 1277/4885MEN1 4425/4885

“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.