SCHEMBL6539725

SCHEMBL6539725

COC(=O)c1ccc(C(=O)NCCC=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
HPGD P15428 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL5561237 0.89 POLB (0.74) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL12144080 0.83 LMNA (0.69) POLBALDH1A1NPC1RAB9ALMNA
SCHEMBL5554988 0.82 POLB (0.87) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL6539681 0.81 LMNA (0.51) POLBALDH1A1NPC1RAB9ALMNA
SCHEMBL13753144 0.81 POLB (0.68) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL4694425 0.81 ALDH1A1 (0.68) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL14424705 0.81 POLB (0.84) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL7462679 0.81 POLB (0.78) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL10874810 0.81 POLB (0.84) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL9625733 0.79 EPHX2 (0.51) POLBMAPTALDH1A1NPC1RAB9A

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 5 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
CN-1423647-A Beta-alanine derivatives and their use as receptor antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-11 CN disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO 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 POLB 3534/4885MAPT 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.