SCHEMBL17201813

SCHEMBL17201813

COc1ccc([C@H]([C@H](O)CO)N(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 3/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
CNR2 P34972 1/20 0.48
ACHE P22303 1/20 0.48
MAPK1 P28482 1/20 0.47
YAP1 P46937 1/20 0.46
TEAD4 Q15561 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
GPR88 Q9GZN0 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALOX12 P18054 1/20 0.43
HTT P42858 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
SCHEMBL13986008 0.84 SLC6A2 (0.53) MEN1KMT2ATDP1SLC6A2SLC6A4
SCHEMBL2169033 0.83 MEN1 (0.47) MEN1KMT2ATDP1CNR2ACHE
SCHEMBL17201826 0.80 GAA (0.41) MEN1KMT2ATDP1SLC6A2SLC6A4
SCHEMBL15209900 0.75 LDHA (0.50) MEN1KMT2ATDP1ACHEMAPK1
SCHEMBL17556929 0.73 L3MBTL1 (0.55) KMT2AACHENPC1ALDH1A1L3MBTL1
SCHEMBL16056652 0.73 L3MBTL1 (0.55) KMT2AACHENPC1ALDH1A1L3MBTL1
SCHEMBL17556844 0.73 L3MBTL1 (0.55) KMT2AACHENPC1ALDH1A1L3MBTL1
SCHEMBL25294876 0.73 TDP1 (0.60) MEN1KMT2ATDP1ACHEMAPK1
SCHEMBL11568927 0.72 TDP1 (0.55) MEN1KMT2ATDP1ACHEMAPK1
SCHEMBL1529072 0.72 CASR (0.49) SLC6A2SLC6A4ALDH1A1TSHRL3MBTL1

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-9566312-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2017-02-14 US disclosed
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2015-10-29 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-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, MAVS MEN1 1766/4885KMT2A 4810/4885TDP1 2432/4885

“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.