SCHEMBL9895158

SCHEMBL9895158

CC(C)C[C@@](C)(NCc1ccc(/C=C/C(=O)NOC(=O)C(F)(F)F)cc1)C(=O)OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC1 Q13547 6/20 0.38
HDAC3 O15379 5/20 0.38
HDAC8 Q9BY41 5/20 0.38
HDAC4 P56524 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NOS3 P29474 4/20 0.33
NOS1 P29475 4/20 0.33
NOS2 P35228 4/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEF2D Q14814 2/20 0.33
KDM1A O60341 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
HDAC2 Q92769 3/20 0.33

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
Trifluoroacetic Acid SCHEMBL9904047 0.89 HDAC3 (0.45) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
Trifluoroacetic Acid SCHEMBL9895157 0.89 HDAC3 (0.45) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL9895636 0.88 HDAC3 (0.49) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL9895637 0.88 HDAC3 (0.49) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL7897836 0.88 HDAC3 (0.49) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL9896186 0.85 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL9894806 0.85 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL9894807 0.85 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL7897085 0.85 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL15377011 0.79 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AHDAC1HDAC3

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-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 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 (3 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 SMN1; SMN2 2429/4885NPC1 1950/4885RAB9A 4776/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 SMN1; SMN2 2931/4885NPC1 3423/4885RAB9A 4584/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 SMN1; SMN2 2289/4885NPC1 1426/4885RAB9A 4822/4885

“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.