SCHEMBL4089215

SCHEMBL4089215

C[C@@H](O)[C@H](NC(=O)O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
MME P08473 1/20 0.42
MAPK1 P28482 4/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL16847277 0.84 HTT (0.44) ALDH1A1KDM4EHTTNPC1MAPK1
SCHEMBL19467628 0.84 HTT (0.44) ALDH1A1KDM4EHTTNPC1MAPK1
SCHEMBL1952124 0.83 KEAP1 (0.50) ALDH1A1MAPK1HDAC1KMT2ALMNA
SCHEMBL16965686 0.83 KEAP1 (0.50) ALDH1A1MAPK1HDAC1KMT2ALMNA
SCHEMBL18766237 0.83 KEAP1 (0.50) ALDH1A1MAPK1HDAC1KMT2ALMNA
SCHEMBL13380235 0.83 KEAP1 (0.50) ALDH1A1MAPK1HDAC1KMT2ALMNA
SCHEMBL4336456 0.81 MME (0.46) ALDH1A1MMEMAPK1KMT2ALMNA
SCHEMBL23000164 0.79 HTT (0.62) ALDH1A1KDM4EHTTNPC1CYP3A4
SCHEMBL4451432 0.79 HTT (0.62) ALDH1A1KDM4EHTTNPC1CYP3A4
SCHEMBL6174378 0.79 HTT (0.62) ALDH1A1KDM4EHTTNPC1CYP3A4

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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP 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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 ALDH1A1 159/4885KDM4E 3267/4885HTT 3885/4885

“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.