SCHEMBL16907359

SCHEMBL16907359

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(C)=O)ccc2OC)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CPA1 P15085 1/20 0.39
▸ CPA2 P48052 1/20 0.39
▸ CPA4 Q9UI42 1/20 0.39
▸ KCNB1 Q14721 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ ERAP2 Q6P179 1/20 0.39
▸ LNPEP Q9UIQ6 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
SCHEMBL10262850 1.00 KLKB1 (0.42) KLKB1TSHRKMT2AMEN1MMP2
SCHEMBL12767238 0.96 ALDH1A1 (0.43) KLKB1TSHRKMT2AMEN1MMP2
SCHEMBL12515365 0.96 ALDH1A1 (0.43) KLKB1TSHRKMT2AMEN1MMP2
SCHEMBL21371604 0.95 KMT2A (0.41) KLKB1TSHRKMT2AMEN1MMP2
SCHEMBL19445643 0.95 ALDH1A1 (0.43) KLKB1TSHRKMT2AMEN1MMP2
SCHEMBL13978369 0.93 ALDH1A1 (0.44) KLKB1TSHRKMT2AMEN1MMP2
SCHEMBL12766955 0.92 MMP2 (0.43) KLKB1TSHRKMT2AMEN1MMP2
SCHEMBL13978413 0.92 ALDH1A1 (0.40) KLKB1TSHRKMT2AMEN1MMP2
SCHEMBL10261735 0.91 KLKB1 (0.41) KLKB1TSHRKMT2AMEN1MMP2
SCHEMBL10260677 0.91 KLKB1 (0.41) KLKB1TSHRKMT2AMEN1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150197485-A1 Processes For Preparing A Polymeric Compound CELLCEUTIX CORP (US) 2015-07-16 — — 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-20150197485-A1 Processes For Preparing A Polymeric Compound F12, ALG1, ABCB11 KLKB1 2057/4885TSHR 4534/4885KMT2A 3278/4885

“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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