SCHEMBL6539640

SCHEMBL6539640

CC(C)N(C(=O)COc1ccc([C]=O)cc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 1/20 0.53
PSMB5 P28074 3/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL6538461 0.83 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8082813 0.81 SRD5A2 (0.68) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8080185 0.81 SRD5A2 (0.63) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6539238 0.80 NPC1 (0.65) TRPM8NPC1RAB9A
SCHEMBL6539987 0.80 SRD5A2 (0.91) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6539644 0.79 SRD5A2 (0.60) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6538738 0.78 POLB (0.51) SMN1; SMN2TRPM8NPC1RAB9A
SCHEMBL8070861 0.76 SRD5A2 (0.74) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8070858 0.76 SRD5A2 (1.00) SRD5A2MEN1KMT2APKMNPC1
SCHEMBL6539272 0.75 LMNA (0.54) KMT2APKMALDH1A1SMN1; SMN2GAA

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 4 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
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 SRD5A2 507/4885MEN1 1428/4885KMT2A 2770/4885

“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.