SCHEMBL4158522

SCHEMBL4158522

CC(=O)O[C@H](C(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.62
KLK7 P49862 1/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 4/20 0.55
USP2 O75604 1/20 0.54
TSHR P16473 2/20 0.54
CYP3A4 P08684 1/20 0.54
MEN1 O00255 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CACNA1C Q13936 1/20 0.52
SCN9A Q15858 1/20 0.52
CA9 Q16790 1/20 0.52
CA13 Q8N1Q1 1/20 0.52

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
SCHEMBL4158526 1.00 PKM (0.62) PKMKLK7KMT2AALDH1A1USP2
SCHEMBL4162007 1.00 PKM (0.62) PKMKLK7KMT2AALDH1A1USP2
SCHEMBL18134893 0.92 PKM (0.67) PKMKLK7KMT2AALDH1A1USP2
SCHEMBL10692649 0.92 PKM (0.76) PKMKLK7KMT2AALDH1A1USP2
SCHEMBL9502645 0.90 PKM (0.59) PKMKLK7KMT2AALDH1A1USP2
SCHEMBL10689090 0.90 ALDH1A1 (0.69) PKMKLK7KMT2AALDH1A1USP2
SCHEMBL10693524 0.89 KMT2A (0.70) PKMKLK7KMT2AALDH1A1TSHR
SCHEMBL10692448 0.85 POLB (0.59) KMT2AALDH1A1TSHRCYP3A4GLS
SCHEMBL10694568 0.84 ALDH1A1 (0.57) PKMKMT2AALDH1A1USP2TSHR
SCHEMBL9503442 0.84 CYP2D6 (0.66) PKMKLK7KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-12-17 US disclosed
US-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-12-17 US disclosed
US-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-12-17 US disclosed
WO-2009108722-A2 SUBSTITUTED BENZOXAZINONES P & H THERAPEUTICS, INC. (US) 2009-09-03 WO disclosed
WO-2009108722-A2 SUBSTITUTED BENZOXAZINONES P & H THERAPEUTICS, INC. (US) 2009-09-03 WO disclosed
US-20090215763-A1 SUBSTITUTED BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-08-27 US disclosed
US-20090215763-A1 SUBSTITUTED BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-08-27 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 (2 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-20090215763-A1 SUBSTITUTED BENZOXAZINONES REN, ACE, AGTR1 PKM 2543/4885KLK7 638/4885KMT2A 4031/4885
US-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES REN, ACE, AGTR1 PKM 1385/4885KLK7 476/4885KMT2A 4044/4885

“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.