SCHEMBL319301

SCHEMBL319301

C[C@@H](O)[C@H](C(=O)N(C)C)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 1/20 0.50
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
TSHR P16473 2/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL2496426 0.90 KMT2A (0.53) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL2493250 0.83 KMT2A (0.56) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL15855790 0.83 KMT2A (0.56) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL15670960 0.80 KMT2A (0.59) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL15670729 0.80 KMT2A (0.59) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL9556637 0.79 ALDH1A1 (0.52) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL1205835 0.79 KMT2A (0.50) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL20658122 0.78 LMNA (0.58) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL17557063 0.78 KMT2A (0.50) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL17557020 0.78 KMT2A (0.50) KMT2AMEN1HPGDALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SLC10A1, ACE, CEL KMT2A 4247/4885MEN1 3721/4885HPGD 2711/4885

“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.