SCHEMBL10315740

SCHEMBL10315740

CC(=O)NCCCCC(NC(=O)CNC(=O)C(CC(C)C)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA9 Q16790 3/20 0.50
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 8/20 0.44
HPGD P15428 7/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPK1 P28482 1/20 0.40

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
SCHEMBL11983772 1.00 CA12 (0.50) CA12CA1CA9KDM4EALDH1A1
SCHEMBL11906012 0.93 CA9 (0.46) CA12CA1CA9KDM4EALDH1A1
SCHEMBL6877904 0.93 CA9 (0.46) CA12CA1CA9KDM4EALDH1A1
SCHEMBL10315741 0.92 CA12 (0.50) CA12CA1CA9KDM4EALDH1A1
SCHEMBL11983774 0.92 CA12 (0.50) CA12CA1CA9KDM4EALDH1A1
SCHEMBL18220762 0.91 CA12 (0.44) CA12CA1CA9KDM4EALDH1A1
SCHEMBL29576896 0.88 CA1 (0.48) CA12CA1CA9KDM4EALDH1A1
SCHEMBL18220760 0.88 CA1 (0.47) CA12CA1CA9KDM4EALDH1A1
SCHEMBL30466798 0.88 CA12 (0.53) CA12CA1CA9KDM4EALDH1A1
SCHEMBL19649037 0.85 CA12 (0.56) CA12CA1CA9KDM4EALDH1A1

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-20120264794-A1 Method for Preparing Largazole Analogs and Uses Thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-10-18 US disclosed
US-8217076-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-07-10 US disclosed
US-20100029731-A1 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-04 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-20100029731-A1 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN CA12 1903/4885CA1 2511/4885CA9 1234/4885
US-20120264794-A1 Method for Preparing Largazole Analogs and Uses Thereof CYP51A1, ADPRS, LPXN CA12 1903/4885CA1 2511/4885CA9 1234/4885

“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.