SCHEMBL20029322

SCHEMBL20029322

O=C(CCCCCNC(=O)C(F)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TGM2 P21980 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.44
EPHX1 P07099 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
FAAH O00519 3/20 0.42
CES1 P23141 3/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL20023027 0.81 NPC1 (0.56) HTTKMT2AALDH1A1HDAC3HDAC1
SCHEMBL20023143 0.79 HTT (0.58) HTTKMT2AALDH1A1SMN1; SMN2KEAP1
SCHEMBL26012752 0.78 HTT (0.49) HTTMEN1KMT2ATGM2ALDH1A1
SCHEMBL20023140 0.78 ALDH1A1 (0.44) HTTMEN1KMT2AALDH1A1FAAH
SCHEMBL8678679 0.77 HTT (0.64) HTTTGM2SMN1; SMN2KEAP1NFE2L2
SCHEMBL12832095 0.77 MEN1 (0.46) MEN1KMT2AALDH1A1EPHX2HDAC3
SCHEMBL7641769 0.77 MAPT (0.64) HTTALDH1A1SMN1; SMN2FAAHCES1
SCHEMBL7642747 0.77 MAPT (0.64) HTTALDH1A1SMN1; SMN2FAAHCES1
SCHEMBL20023138 0.77 HTT (0.48) HTTKMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL19929279 0.76 CCR6 (0.54) HTTMEN1KMT2ATGM2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 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 (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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA HTT 1520/4885MEN1 3973/4885KMT2A 1937/4885

“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.