SCHEMBL15096516

SCHEMBL15096516

COC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TDP1 Q9NUW8 6/20 0.44
▸ ATM Q13315 2/20 0.44
▸ AKT1 P31749 1/20 0.43
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ DRD2 P14416 4/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ SIRT3 Q9NTG7 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
SCHEMBL22044586 0.87 AKT1 (0.48) POLBNPSR1MEN1KMT2ATDP1
SCHEMBL31467206 0.87 TDP1 (0.51) POLBNPSR1MEN1KMT2ATDP1
SCHEMBL8648133 0.85 SIRT2 (0.47) SIRT2SIRT1SIRT3
SCHEMBL22807658 0.84 GLP1R (0.43) POLBNPSR1MEN1KMT2ATDP1
SCHEMBL21664570 0.84 TDP1 (0.49) POLBNPSR1MEN1KMT2ATDP1
SCHEMBL18942764 0.84 AKT1 (0.52) NPSR1TDP1ATMAKT1HDAC1
SCHEMBL15096521 0.84 PTGS1 (0.47) SIRT2SIRT1SIRT3
SCHEMBL12148796 0.83 AKT1 (0.51) POLBNPSR1MEN1KMT2ATDP1
SCHEMBL31721990 0.83 AKT1 (0.51) AKT1HDAC1HDAC8HDAC3HDAC6
SCHEMBL17738032 0.82 TDP1 (0.56) NPSR1MEN1KMT2ATDP1AKT1

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-20180104353-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF INVICTUS ONCOLOGY PVT. LTD. (IN) 2018-04-19 — — US disclosed
US-9884123-B2 Ligand-targeted molecules and methods thereof INVICTUS ONCOLOGY PVT. LTD. (IN) 2018-02-06 — — US disclosed
US-20150045428-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF INVICTUS ONCOLOGY PVT. LTD. (IN) 2015-02-12 — — US disclosed
WO-2013103707-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF INVICTUS ONCOLOGY PVT. LTD. (IN) 2013-07-11 — — WO 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-20180104353-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF HLCS, PAICS, CLTC POLB 3615/4885NPSR1 1252/4885MEN1 1456/4885
US-20150045428-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF HLCS, PAICS, CLTC POLB 3695/4885NPSR1 1144/4885MEN1 1473/4885

“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.

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