SCHEMBL6538567

SCHEMBL6538567

CC(C)N(C(=O)COc1ccc(C(=O)OCc2ccccc2)cc1)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.60
MAPT P10636 4/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 3/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 3/20 0.55
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLA2G4B P0C869 1/20 0.49
MAOB P27338 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NR4A1 P22736 1/20 0.48

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
SCHEMBL6539797 0.87 ALDH1A1 (0.62) MAPTALDH1A1HPGDKMT2ASLC6A2
SCHEMBL4500586 0.82 KMT2A (0.67) SRD5A2MAPTALDH1A1HPGDKMT2A
SCHEMBL20830918 0.82 KMT2A (0.67) MAPTALDH1A1HPGDKMT2ASLC6A2
SCHEMBL7009532 0.82 KMT2A (0.58) MAPTALDH1A1HPGDKMT2ASLC6A2
SCHEMBL20830746 0.81 KMT2A (0.61) SRD5A2MAPTALDH1A1HPGDKMT2A
SCHEMBL6539274 0.81 ALDH1A1 (0.65) MAPTALDH1A1HPGDKMT2ASLC6A2
SCHEMBL50807 0.80 KMT2A (0.73) SRD5A2MAPTALDH1A1HPGDKMT2A
SCHEMBL21546008 0.80 KMT2A (0.59) SRD5A2MAPTALDH1A1HPGDKMT2A
SCHEMBL2830303 0.80 KMT2A (0.59) MAPTALDH1A1HPGDKMT2ASLC6A2
SCHEMBL6538759 0.80 SMN1; SMN2 (0.59) MAPTALDH1A1HPGDKMT2ASLC6A2

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 SRD5A2 507/4885MAPT 2594/4885ALDH1A1 578/4885

“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.