SCHEMBL12767238

SCHEMBL12767238

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ KLKB1 P03952 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ KCNB1 Q14721 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ PYGL P06737 1/20 0.39
▸ PDF Q9HBH1 1/20 0.38

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
SCHEMBL12515365 1.00 ALDH1A1 (0.43) ALDH1A1KLKB1TSHRMMP2HDAC1
SCHEMBL19445643 0.99 ALDH1A1 (0.43) ALDH1A1KLKB1TSHRMMP2HDAC1
SCHEMBL13978369 0.97 ALDH1A1 (0.44) ALDH1A1KLKB1TSHRMMP2HDAC1
SCHEMBL10262850 0.96 KLKB1 (0.42) ALDH1A1KLKB1TSHRMMP2HDAC1
SCHEMBL16907359 0.96 KLKB1 (0.42) ALDH1A1KLKB1TSHRMMP2HDAC1
SCHEMBL13978413 0.95 ALDH1A1 (0.40) ALDH1A1KLKB1TSHRMMP2HDAC1
SCHEMBL12766955 0.92 MMP2 (0.43) KLKB1TSHRMMP2HDAC1KMT2A
SCHEMBL21371604 0.92 KMT2A (0.41) ALDH1A1KLKB1TSHRMMP2HDAC1
SCHEMBL10261735 0.91 KLKB1 (0.41) KLKB1TSHRMMP2HDAC1KMT2A
Delparantag SCHEMBL10267622 0.91 ERAP2 (0.47) KLKB1TSHRMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354556-B2 Processes for preparing a polymeric compound POLYMEDIX, INC. (US) 2013-01-15 — — US disclosed
US-20110098498-A1 Processes For Preparing A Polymeric Compound POLYMEDIX, INC. (US) 2011-04-28 — — 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-20110098498-A1 Processes For Preparing A Polymeric Compound F12, ALG1, ABCB11 ALDH1A1 1028/4885KLKB1 2057/4885TSHR 4534/4885

“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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