SCHEMBL4345946

SCHEMBL4345946

O=C(CCCCCCCCCCCCCCCS)NCCS

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 0.59
HDAC1 Q13547 14/20 0.59
HDAC2 Q92769 14/20 0.59
HDAC10 Q969S8 14/20 0.59
HDAC11 Q96DB2 14/20 0.59
HDAC8 Q9BY41 14/20 0.59
HDAC6 Q9UBN7 14/20 0.59
HDAC4 P56524 11/20 0.59
HDAC7 Q8WUI4 11/20 0.59
HDAC9 Q9UKV0 11/20 0.59
HDAC5 Q9UQL6 11/20 0.59
DNM1 Q05193 2/20 0.48
FAAH O00519 3/20 0.47
FOLH1 Q04609 1/20 0.46

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
SCHEMBL929190 0.98 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4347567 0.95 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4343780 0.95 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4989871 0.93 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL929719 0.91 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL24855609 0.88 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL11955684 0.88 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9642750 0.87 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL18648723 0.87 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL18415503 0.87 SELP (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11

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 2194/4885HDAC1 800/4885HDAC2 2973/4885
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB HDAC3 2182/4885HDAC1 805/4885HDAC2 3021/4885

“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.