SCHEMBL2969889

SCHEMBL2969889

CC(C)Oc1cccc(C(N)CC(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PTGS1 P23219 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NSD2 O96028 1/20 0.44
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
ALOX5 P09917 1/20 0.42
ACHE P22303 2/20 0.41
FAAH O00519 1/20 0.41
BCHE P06276 1/20 0.41
FFAR1 O14842 1/20 0.41
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
Hydrochloric Acid SCHEMBL6953340 0.98 KMT2A (0.63) KMT2ASMN1; SMN2RXRARXRBL3MBTL1
SCHEMBL7101048 0.86 KMT2A (0.66) KMT2ASMN1; SMN2L3MBTL1FFAR1
SCHEMBL1686398 0.86 KMT2A (0.66) KMT2ASMN1; SMN2L3MBTL1FFAR1
SCHEMBL5720924 0.86 KMT2A (0.66) KMT2ASMN1; SMN2L3MBTL1FFAR1
SCHEMBL29592469 0.86 KMT2A (0.66) KMT2ASMN1; SMN2L3MBTL1FFAR1
Hydrochloric Acid SCHEMBL28810293 0.85 KMT2A (0.64) KMT2ASMN1; SMN2L3MBTL1FFAR1
SCHEMBL7087851 0.83 KMT2A (0.70) KMT2ASMN1; SMN2PTGS1ALDH1A1KDM4E
SCHEMBL7088219 0.83 KMT2A (0.70) KMT2ASMN1; SMN2PTGS1ALDH1A1KDM4E
SCHEMBL6922512 0.83 KMT2A (0.70) KMT2ASMN1; SMN2PTGS1ALDH1A1KDM4E
SCHEMBL13120949 0.83 KMT2A (0.46) KMT2ASMN1; SMN2RXRARXRBL3MBTL1

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-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 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-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, BACE2 KMT2A 3547/4885SMN1; SMN2 442/4885RXRA 4091/4885

“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.