SCHEMBL21679995

SCHEMBL21679995

CC(C)(NC(=O)O)c1cc(-c2ccccc2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 10/20 0.41
SHMT1 P34896 1/20 0.41
SHMT2 P34897 1/20 0.41
KAT6A Q92794 1/20 0.40
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
AR P10275 1/20 0.38
KDM4E B2RXH2 1/20 0.38
APOBEC3A P31941 1/20 0.38
GFER P55789 1/20 0.38
HDAC1 Q13547 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL12614400 0.78 PTGDR2 (0.40) NPC1LMNAMAPTARHDAC1
SCHEMBL15853144 0.77 ACLY (0.39) ACLYRXRARXRB
SCHEMBL2362106 0.75 ADAMTS4 (0.51) NPC1LMNAMAPTCASP3SENP8
SCHEMBL12614028 0.75 RXRA (0.50) SHMT1SHMT2KAT6ARXRARXRB
SCHEMBL29398883 0.75 RXRA (0.50) SHMT1SHMT2KAT6ARXRARXRB
SCHEMBL12614659 0.75 NPC1 (0.42) ACLYNPC1LMNAMAPTCYP2C9
SCHEMBL17924791 0.74 RXRA (0.53) SHMT1SHMT2RXRARXRB
SCHEMBL29936164 0.74 HDAC3 (0.41) NPC1MAPTHDAC1HDAC6CYP2C9
SCHEMBL17924796 0.74 POLQ (0.39) ACLYARCYP2C9
SCHEMBL31522598 0.73 NTMT1 (0.58)

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
EP-3673906-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2020-07-01 EP disclosed
US-20200048266-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORP (US) 2020-02-13 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-20200048266-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA ACLY 431/4885SHMT1 890/4885SHMT2 1105/4885

“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.