SCHEMBL13435772

SCHEMBL13435772

COC(=O)C(Cc1ccccc1C(=O)CBr)(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 2/20 0.43
AKT1 P31749 1/20 0.39
HPGDS O60760 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KCNA5 P22460 1/20 0.36
DRD2 P14416 5/20 0.35
PTPN1 P18031 2/20 0.35
PTPN2 P17706 1/20 0.35
ACP1 P24666 1/20 0.35
MAPT P10636 1/20 0.34
TACR1 P25103 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL13435771 0.80 PTPRB (0.47) PTPRBKMT2AMEN1RAB9APTPN1
SCHEMBL7355372 0.73 CTSS (0.50) PTPRBKMT2AMEN1NPC1RAB9A
SCHEMBL9556336 0.72 CTSS (0.44) PTPRBKMT2AMEN1TACR1CTSS
SCHEMBL291874 0.72 AKT1 (0.41) AKT1HPGDSKMT2AMEN1NPC1
SCHEMBL4702416 0.70 AKT1 (0.46) AKT1KMT2AMEN1NPC1HTT
SCHEMBL6328069 0.69 PTPN1 (0.38) HPGDSKMT2APTPN1ALDH1A1
SCHEMBL7010560 0.68 PTPRB (0.47) PTPRBNPC1RAB9APTPN1PTPN2
SCHEMBL2210445 0.67 CA12 (0.49) PTPRBAKT1KMT2AMEN1PTPN1
SCHEMBL2210451 0.67 CA12 (0.49) PTPRBAKT1KMT2AMEN1PTPN1
SCHEMBL24107436 0.67 HPGDS (0.49) HPGDSKMT2AHTTPTPN1ALDH1A1

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-20100056432-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIBACTERIAL ACTIVITY POLYPHOR LTD. (CH) 2010-03-04 US disclosed
US-7582604-B2 Template-fixed peptidomimetics with antibacterial activity POLYPHOR LTD. (CH) 2009-09-01 US disclosed
US-7417024-B2 Template-fixed peptidomimetics as inhibitors of serine proteases POLYPHOR LTD. (CH) 2008-08-26 US disclosed
US-7253146-B2 Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD (CH) 2007-08-07 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-20100056432-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIBACTERIAL ACTIVITY POLL, QPCTL, PEPD PTPRB 2482/4885AKT1 2638/4885HPGDS 1178/4885

“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.