SCHEMBL11932050

SCHEMBL11932050

CC(C)(C)OC(=O)NCCSc1c(N)cc(C(C)(C)C)cc1NC(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)cc(N)c2SCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.40
SUCNR1 Q9BXA5 2/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PTGS1 P23219 1/20 0.36
MAPK14 Q16539 1/20 0.36
STING1 Q86WV6 1/20 0.35
IDO1 P14902 1/20 0.35
NAMPT P43490 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL14996420 0.91 HDAC1 (0.34) HDAC1SUCNR1CA1CA2PTGS1
SCHEMBL11932631 0.87 CA12 (0.40) HDAC1CA1CA2IDO1NPC1
SCHEMBL85496 0.86 PTGS1 (0.37) HDAC1PTGS1MAPK14NPC1RAB9A
SCHEMBL10198582 0.85 PLK4 (0.37) HDAC1PTGS1MAPK14NPC1RAB9A
SCHEMBL85722 0.85 PTGS1 (0.44) HDAC1CA1CA2PTGS1NPC1
SCHEMBL4798877 0.83 IDO1 (0.41) CA1CA2IDO1NPC1RAB9A
SCHEMBL14117688 0.82 HDAC1 (0.42) HDAC1SUCNR1CA1CA2PTGS1
SCHEMBL10198572 0.81 PTGS1 (0.41) HDAC1PTGS1MAPK14RAB9ASMN1; SMN2
SCHEMBL15176889 0.81 KIF11 (0.46) HDAC1PTGS1RAB9AMEN1MAPT
SCHEMBL16284384 0.81 PTGS1 (0.41) HDAC1PTGS1NPC1RAB9ASMN1; SMN2

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-20160151314-A1 Facially Amphiphilic Polymers and Oligomers and Uses Thereof NATIONAL SCIENCE FOUNDATION 2016-06-02 US disclosed
US-9241917-B2 Facially amphiphilic polymers and oligomers and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-01-26 US disclosed
US-9241917-B2 Facially amphiphilic polymers and oligomers and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-01-26 US disclosed
US-8236800-B2 antimicrobial agents and antidote for hemorrhagic complications associated with heparin therapy; peptide having optimal sites of polar and nonpolar substituents that confer amphiphilic properties; leucine and aminobenzoic acid derivative; isophthalic acid and diaminobenzene, 3-tert-butyl-6-alkylthio cmpd THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-08-07 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-20160151314-A1 Facially Amphiphilic Polymers and Oligomers and Uses Thereof TLR3, ABHD16A, ANTXR2 HDAC1 1308/4885SUCNR1 4032/4885CA1 3768/4885

“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.