SCHEMBL6538569

SCHEMBL6538569

CC(C)N(C(=O)COc1ccccc1C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
POLB P06746 1/20 0.47
ABCB1 P08183 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45

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
SCHEMBL6539802 0.87 HTT (0.58) HTTALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL27898281 0.82 L3MBTL1 (0.66) HTTALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL6539993 0.82 KDM4E (0.59) HTTALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL6539750 0.82 HTT (0.65) HTTALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL6539278 0.81 HTT (0.57) HTTALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL4415350 0.80 HTT (0.75) HTTALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL8380993 0.80 HTT (0.59) HTTALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL6538567 0.80 SRD5A2 (0.60) ALDH1A1L3MBTL1TDP1KMT2ASMN1; SMN2
SCHEMBL6538760 0.79 HTT (0.52) HTTALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL9574717 0.79 HTT (0.73) HTTALDH1A1L3MBTL1TDP1KMT2A

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-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB HTT 3050/4885ALDH1A1 578/4885L3MBTL1 2252/4885

“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.