SCHEMBL16078335

SCHEMBL16078335

CC12CC3CC(C)(C1)CC(C(=O)Nc1ncc(C#N)s1)(C3)C2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
ALOX15 P16050 1/20 0.47
P2RX7 Q99572 1/20 0.46
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR2 O15552 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL963181 0.83 CNR1 (0.50) POLBKMT2ANPC1
SCHEMBL16073055 0.82 GAA (0.53) GAAHTTALOX15P2RX7POLB
SCHEMBL16073081 0.78 HTT (0.52) GAAHTTALOX15P2RX7KMT2A
SCHEMBL16078328 0.78 GAA (0.49) GAAHTTALOX15P2RX7POLB
SCHEMBL12858259 0.76 GAA (0.54) GAAHTTALOX15P2RX7POLB
SCHEMBL18671008 0.71 CNR2 (0.52) GAAHTTALOX15P2RX7POLB
SCHEMBL30944393 0.71 CNR1 (0.71) GAAHTTALOX15KMT2ANPC1
SCHEMBL2690664 0.71 FFAR2 (0.53) FFAR2
SCHEMBL16073067 0.71 CNR2 (0.51) GAAHTTALOX15P2RX7POLB
SCHEMBL30944404 0.70 NPC1 (0.56) GAAHTTALOX15P2RX7POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604946-B2 Methods for modulating bacterial virulence and related compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-28 US disclosed
US-20140275189-A1 Methods for Modulating Bacterial Virulence and Related Compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-18 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-20140275189-A1 Methods for Modulating Bacterial Virulence and Related Compounds STAT1, MLEC, CGAS GAA 3218/4885HTT 4567/4885ALOX15 313/4885

“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.