SCHEMBL6185845

SCHEMBL6185845

O=C(N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ITGA4 P13612 3/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
F10 P00742 1/20 0.46
LMNA P02545 1/20 0.44
CDK2 P24941 1/20 0.44
MAPT P10636 3/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGB1 P05556 1/20 0.44

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
SCHEMBL6185853 1.00 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2ITGA4
SCHEMBL6207439 0.88 POLB (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2F10
SCHEMBL6208313 0.87 CTSL (0.53) CTSLCTSB
SCHEMBL6208306 0.87 CTSL (0.53) CTSLCTSB
SCHEMBL5808560 0.85 ADRB3 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2ITGA4
SCHEMBL6185005 0.85 F10 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2F10
SCHEMBL6185000 0.85 F10 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2F10
SCHEMBL6268990 0.84 CTSK (0.49) CTSLCTSB
SCHEMBL6268987 0.84 CTSK (0.49) CTSLCTSB
SCHEMBL6189086 0.83 CTSK (0.48) CTSLCTSB

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-20050282871-A1 3-(3,5-Disubstituted-4-hydroxyphenyl)propionamide derivatives as cathepsin b inhibitors BURRILL II LELAND C 2005-12-22 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 (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 ALDH1A1 1461/4885MEN1 4425/4885KMT2A 3912/4885

“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.