SCHEMBL4338510

SCHEMBL4338510

O=C(CCS)NCCCCCCCNC(=O)CCS

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.59
HDAC4 P56524 7/20 0.59
HDAC1 Q13547 7/20 0.59
HDAC7 Q8WUI4 7/20 0.59
HDAC2 Q92769 7/20 0.59
HDAC10 Q969S8 7/20 0.59
HDAC11 Q96DB2 7/20 0.59
HDAC8 Q9BY41 7/20 0.59
HDAC6 Q9UBN7 7/20 0.59
HDAC9 Q9UKV0 7/20 0.59
HDAC5 Q9UQL6 7/20 0.59
CASP2 P42575 1/20 0.56
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NAAA Q02083 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DNM1 Q05193 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 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
SCHEMBL4343246 1.00 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4338536 1.00 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9565250 1.00 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL930150 0.93 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL930489 0.90 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL965531 0.89 CASP2 (0.74) CASP2NAAADNM1FAAH
SCHEMBL21548098 0.89 CASP2 (0.74) CASP2NAAADNM1FAAH
SCHEMBL20683710 0.89 CASP2 (0.74) CASP2NAAADNM1FAAH
SCHEMBL14704007 0.89 CASP2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29290542 0.89 CASP2 (0.74) CASP2NAAADNM1FAAH

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-9476087-B2 Methods and compounds for detecting beta-lactamase activity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-10-25 US disclosed
US-20140322739-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY UNIV NANYANG TECH (SG) 2014-10-30 US disclosed
US-8802387-B2 Methods and compounds for detecting beta-lactamase activity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-12 US disclosed
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY NANYANG TECHNOLOGICAL UNIVERSITY 2009-11-05 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 (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-20140322739-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB HDAC3 2194/4885HDAC4 1893/4885HDAC1 800/4885
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB HDAC3 2182/4885HDAC4 1870/4885HDAC1 805/4885

“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.