SCHEMBL6538982

SCHEMBL6538982

CCOC(=O)C[C@H](c1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)C(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
ALDH1A1 P00352 1/20 0.44
FFAR1 O14842 1/20 0.43
BCHE P06276 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43

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
SCHEMBL6609266 0.88 ALOX5 (0.57) ALOX5L3MBTL1PTGS1PTGS2FFAR1
SCHEMBL6609269 0.88 ALOX5 (0.57) ALOX5L3MBTL1PTGS1PTGS2FFAR1
SCHEMBL31109316 0.88 TRPM8 (0.42) ALOX5L3MBTL1LMNAALDH1A1
SCHEMBL31109220 0.87 F2 (0.43) ALOX5L3MBTL1LMNAALDH1A1
SCHEMBL31109250 0.85 LPAR1 (0.47) ALOX5L3MBTL1LMNAPTGS2ALDH1A1
SCHEMBL30671411 0.82 PPARG (0.41) L3MBTL1LMNAALDH1A1
SCHEMBL30671403 0.82 F10 (0.42) ALOX5L3MBTL1LMNAALDH1A1FFAR1
SCHEMBL31109286 0.81 PTGES (0.46) ALOX5LMNAPTGS1ALDH1A1FFAR1
SCHEMBL13143762 0.81 F10 (0.44) ALOX5L3MBTL1LMNAALDH1A1
SCHEMBL20857397 0.81 F10 (0.44) L3MBTL1LMNAALDH1A1

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 ALOX5 2901/4885L3MBTL1 2252/4885LMNA 1535/4885

“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.