SCHEMBL3020154

SCHEMBL3020154

COC(=O)[C@@H](NC(=O)c1ccc(C#CC#C[C@H](C)N2CCOCC2)cc1)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.38
KMT2A Q03164 2/20 0.34
CASP3 P42574 3/20 0.34
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3019110 1.00 PIN1 (0.38) PIN1KMT2ACASP3MDM4TP53
SCHEMBL3019107 1.00 PIN1 (0.38) PIN1KMT2ACASP3MDM4TP53
SCHEMBL3019108 1.00 PIN1 (0.38) PIN1KMT2ACASP3MDM4TP53
SCHEMBL3015746 0.85 KMT2A (0.42) KMT2ATSHRSMN1; SMN2
SCHEMBL13984690 0.84 PIN1 (0.41) PIN1KMT2ACASP3MDM4TP53
SCHEMBL3012552 0.82 CASP3 (0.43) PIN1KMT2ACASP3
SCHEMBL3018948 0.80 KMT2A (0.43) PIN1KMT2ACASP3
SCHEMBL3808020 0.80 KMT2A (0.43) PIN1KMT2ACASP3
SCHEMBL13244984 0.80 CASP3 (0.42) PIN1KMT2ACASP3
SCHEMBL3014990 0.79 ACACB (0.41) PIN1KMT2APOLB

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 PIN1 566/4885KMT2A 4779/4885CASP3 122/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 PIN1 566/4885KMT2A 4779/4885CASP3 122/4885

“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.