SCHEMBL3021499

SCHEMBL3021499

COC(=O)[C@@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCC(F)CC3)cc2)cc1)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CHRM2 P08172 1/20 0.38
POLB P06746 1/20 0.37
PIN1 Q13526 1/20 0.37
MCHR1 Q99705 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL3641388 0.93 ACACB (0.41) LMNACYP2D6CYP2C9CHRM2POLB
SCHEMBL3014990 0.93 ACACB (0.41) LMNACYP2D6CYP2C9CHRM2POLB
SCHEMBL13266922 0.93 MCHR1 (0.43) LMNACYP2D6CYP2C9HRH3POLB
SCHEMBL3015746 0.92 KMT2A (0.42) KMT2A
SCHEMBL13984836 0.86 POLB (0.42) LMNACYP2D6CYP2C9POLBPIN1
SCHEMBL3018006 0.85 KMT2A (0.40) PIN1KMT2AACACB
SCHEMBL3012552 0.85 CASP3 (0.43) PIN1KMT2A
SCHEMBL13267312 0.85 KMT2A (0.44) LMNAHRH3KDM4EKMT2A
SCHEMBL3015812 0.85 KMT2A (0.44) PIN1KMT2AACACB
SCHEMBL3802721 0.85 KMT2A (0.44) PIN1KMT2AACACB

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 4 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-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 LMNA 3214/4885CYP2D6 30/4885CYP2C9 62/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 LMNA 3214/4885CYP2D6 30/4885CYP2C9 62/4885

“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.