SCHEMBL835619

SCHEMBL835619

C[C@@H]([C@H](O)COc1ccc(F)cc1F)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CTSD P07339 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
HTR2A P28223 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
SLC6A9 P48067 2/20 0.37

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
SCHEMBL835621 1.00 ACHE (0.42) ACHEL3MBTL1CTSDTRPM8HTR2A
SCHEMBL851227 0.75 ATM (0.43) ACHECTSD
SCHEMBL3010604 0.73 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL3010600 0.73 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL851083 0.72 CARM1 (0.41) L3MBTL1KMT2AMEN1
SCHEMBL13197618 0.72 MEN1 (0.44) L3MBTL1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL13197626 0.72 MEN1 (0.44) L3MBTL1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL424265 0.72 MEN1 (0.46) L3MBTL1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL835699 0.71 ALDH1A1 (0.41) L3MBTL1KMT2AMEN1
SCHEMBL532301 0.70 MEN1 (0.47) L3MBTL1TRPM8KMT2AMEN1LMNA

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-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 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-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ACHE 1521/4885L3MBTL1 4885/4885CTSD 816/4885

“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.