SCHEMBL15743809

SCHEMBL15743809

CC(=O)[C@H](C)NC(=O)c1ccco1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 3/20 0.57
TP53 P04637 2/20 0.55
HPGD P15428 1/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.51
PAX8 Q06710 1/20 0.51
POLB P06746 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL18906021 0.86 KMT2A (0.61) KMT2AALDH1A1TP53HPGDGAA
SCHEMBL8338185 0.85 KMT2A (0.56) KMT2AALDH1A1TP53HPGDGAA
SCHEMBL1106975 0.84 KMT2A (0.62) KMT2AALDH1A1TP53HPGDGAA
SCHEMBL27281106 0.83 ALDH1A1 (0.62) KMT2AALDH1A1TP53HPGDGAA
SCHEMBL18546466 0.83 ALDH1A1 (0.62) KMT2AALDH1A1TP53HPGDGAA
SCHEMBL14664119 0.82 KMT2A (0.54) KMT2AALDH1A1TP53HPGDGAA
SCHEMBL9200428 0.81 KMT2A (0.59) KMT2AALDH1A1TP53HPGDGAA
SCHEMBL10868007 0.80 ALDH1A1 (0.55) KMT2AALDH1A1TP53HPGDGAA
SCHEMBL10868004 0.80 ALDH1A1 (0.55) KMT2AALDH1A1TP53HPGDGAA
SCHEMBL21041221 0.78 KMT2A (0.68) KMT2AALDH1A1TP53GAALMNA

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-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KMT2A 3866/4885ALDH1A1 3778/4885TP53 58/4885

“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.