SCHEMBL21501418

SCHEMBL21501418

CCOC(=O)C(O)C(F)(F)c1ccc(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CASP1 P29466 2/20 0.38
POLB P06746 2/20 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
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 6/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL14330628 0.78 HDAC4 (0.41) HDAC4HDAC6HDAC3HDAC1ALDH1A1
SCHEMBL21501415 0.75 GPR35 (0.41) HDAC4HDAC6HDAC3HDAC1ALDH1A1
SCHEMBL21501145 0.71 ALDH1A1 (0.46) HDAC4HDAC6HDAC3HDAC1ALDH1A1
SCHEMBL21501400 0.70 CNR2 (0.41) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL3312576 0.70 ALDH1A1 (0.41) HDAC4HDAC6HDAC3HDAC1ALDH1A1
SCHEMBL16808676 0.69 GABBR2 (0.41) ALDH1A1HPGDNPSR1CASP1POLB
SCHEMBL29418619 0.69 GABBR2 (0.41) ALDH1A1HPGDNPSR1CASP1POLB
SCHEMBL29045259 0.68 GABBR2 (0.43) ALDH1A1HPGDNPSR1CASP1POLB
SCHEMBL21501370 0.68 MCL1 (0.41) ALDH1A1TP53KDM4EMAPTAR
SCHEMBL21501178 0.68 NPC1 (0.49) HDAC1ALDH1A1HPGDPOLBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARM INC (US) 2019-10-24 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-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE UGCG, MAN2B1, GBA1 HDAC4 609/4885HDAC6 377/4885HDAC3 382/4885

“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.