SCHEMBL9889378

SCHEMBL9889378

CCC(=O)CCSC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.36
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
IAPP P10997 1/20 0.31
FFAR3 O14843 1/20 0.30
ACE P12821 1/20 0.30

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
SCHEMBL14093285 0.78 CYP2C19 (0.43) CYP2C19TDP1POLBBLMATM
SCHEMBL9889377 0.76 ACE (0.44) CYP2C19POLBBLMATMHDAC3
SCHEMBL11441277 0.76 EGLN1 (0.48) CYP2C19TDP1POLBBLMATM
SCHEMBL30064515 0.76 TDP1 (0.50) TDP1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL30064612 0.76 TDP1 (0.50) TDP1ALDH1A1IAPPFFAR3
SCHEMBL12564226 0.76
SCHEMBL3490443 0.75 ALDH1A1 (0.46) CYP2C19TDP1POLBBLMATM
SCHEMBL10428923 0.75 ALDH1A1 (0.46) CYP2C19TDP1POLBBLMATM
SCHEMBL22551299 0.74 CYP2C19 (0.60) CYP2C19TDP1POLBBLMATM
SCHEMBL668605 0.74

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-9161988-B2 Multimeric peptide conjugates and uses thereof ANGIOCHEM INC. (CA) 2015-10-20 US disclosed
US-20120141416-A1 MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2012-06-07 US disclosed
US-20080220536-A1 Methods for Identifying Compounds that Modulate Enzymatic Activities by Employing Covalently Bonded Target-Extender Complexes with Ligand Candidates ERIANSON DANIEL A 2008-09-11 US disclosed
US-7214487-B2 Methods for identifying compounds that modulate enzymatic activities by employing covalently bonded target-extender complexes with ligand candidates SUNESIS PHARMACEUTICALS, INC. (US) 2007-05-08 US 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-20120141416-A1 MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF LNPEP, DNPEP, VIP CYP2C19 4507/4885TDP1 2152/4885POLB 3575/4885

“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.