SCHEMBL3017201

SCHEMBL3017201

COC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(C#CC=Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
STAT3 P40763 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3017195 1.00 KMT2A (0.43) KMT2AMAPK1SMN1; SMN2TSHRKDM4E
SCHEMBL13244517 1.00 KMT2A (0.43) KMT2AMAPK1SMN1; SMN2TSHRKDM4E
SCHEMBL13244559 1.00 KMT2A (0.43) KMT2AMAPK1SMN1; SMN2TSHRKDM4E
SCHEMBL3017193 1.00 KMT2A (0.43) KMT2AMAPK1SMN1; SMN2TSHRKDM4E
SCHEMBL13244567 0.93 KMT2A (0.41) KMT2AMAPK1SMN1; SMN2TSHRLMNA
SCHEMBL13244598 0.93 KMT2A (0.41) KMT2AMAPK1SMN1; SMN2TSHRLMNA
SCHEMBL13244525 0.93 KMT2A (0.41) KMT2AMAPK1SMN1; SMN2TSHRLMNA
SCHEMBL13266915 0.91 KMT2A (0.49) KMT2AMAPK1SMN1; SMN2TSHRKDM4E
SCHEMBL13984442 0.91 KMT2A (0.49) KMT2AMAPK1SMN1; SMN2TSHRKDM4E
SCHEMBL3001968 0.90 KMT2A (0.46) KMT2AMAPK1SMN1; SMN2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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 (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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KMT2A 4779/4885MAPK1 2069/4885SMN1; SMN2 2202/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KMT2A 4779/4885MAPK1 2069/4885SMN1; SMN2 2202/4885

“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.