SCHEMBL330432

SCHEMBL330432

COC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
ALDH1A1 P00352 3/20 0.58
ALOX15 P16050 1/20 0.58
POLB P06746 1/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
THRB P10828 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
MDM4 O15151 1/20 0.54
MDM2 Q00987 1/20 0.54

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
SCHEMBL9491221 1.00 ATM (0.59) ATMALDH1A1ALOX15POLBCTSL
SCHEMBL13588071 0.95 MDM4 (0.61) ATMALDH1A1ALOX15POLBCTSL
SCHEMBL11578841 0.95 CTSL (0.58) ATMALDH1A1ALOX15POLBCTSL
SCHEMBL11578845 0.95 CTSL (0.58) ATMALDH1A1ALOX15POLBCTSL
SCHEMBL28902023 0.95 MDM4 (0.61) ATMALDH1A1ALOX15POLBCTSL
SCHEMBL9440556 0.90 CTSB (0.67) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL11028843 0.90 TACR1 (0.55) ALDH1A1ALOX15POLBCTSLCTSB
SCHEMBL22811132 0.90 MAPK1 (0.52) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL31650945 0.90 ACE (0.56) ALDH1A1POLBCTSLCTSBCTSS
SCHEMBL8932374 0.90 MAPK1 (0.52) ALDH1A1ALOX15CTSLCTSBCTSS

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-8318798-B2 Therapeutic agent for neurodegenerative disease NATIONAL UNIVERSITY CORPORATION HOKKALDO UNIVERSITY (JP) 2012-11-27 US disclosed
EP-2407167-A2 Therapeutic agent for neurodegenerative disease National University Corporation Hokkaido University (JP) 2012-01-18 EP disclosed
US-20090233872-A1 Therapeutic Agent for Neurodegenerative Disease NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-17 US disclosed
EP-1974732-A1 THERAPEUTIC AGENT FOR NEURODEGENERATIVE DISEASE National University Corporation Hokkaido University (JP) 2008-10-01 EP 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-20090233872-A1 Therapeutic Agent for Neurodegenerative Disease PARK7, HSPD1, FASTKD1 ATM 2110/4885ALDH1A1 3290/4885ALOX15 567/4885

“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.