SCHEMBL12766955

SCHEMBL12766955

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.43
▸ KLKB1 P03952 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KCNB1 Q14721 3/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ STAT3 P40763 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ MAPK8 P45983 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
SCHEMBL10262850 0.92 KLKB1 (0.42) MMP2KLKB1TSHRKCNB1KMT2A
SCHEMBL16907359 0.92 KLKB1 (0.42) MMP2KLKB1TSHRKCNB1KMT2A
SCHEMBL12515365 0.92 ALDH1A1 (0.43) MMP2KLKB1TSHRKCNB1KMT2A
SCHEMBL15317941 0.92 KLKB1 (0.42) MMP2KLKB1TSHRRAB9AKCNB1
SCHEMBL12767238 0.92 ALDH1A1 (0.43) MMP2KLKB1TSHRKCNB1KMT2A
SCHEMBL10260677 0.91 KLKB1 (0.41) MMP2KLKB1TSHRKCNB1KCNA5
Delparantag SCHEMBL10267622 0.91 ERAP2 (0.47) MMP2KLKB1TSHR
SCHEMBL15138936 0.91 ERAP2 (0.47) MMP2KLKB1TSHR
SCHEMBL10261735 0.91 KLKB1 (0.41) MMP2KLKB1TSHRKCNB1KMT2A
SCHEMBL19445643 0.91 ALDH1A1 (0.43) MMP2KLKB1TSHRKCNB1KMT2A

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-20130252964-A1 Compounds And Methods For Treating Candidiasis And Aspergillus Infections POLYMEDIX, INC. (US) 2013-09-26 — — 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 (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-20110098498-A1 Processes For Preparing A Polymeric Compound F12, ALG1, ABCB11 MMP2 2411/4885KLKB1 2057/4885TSHR 4534/4885
US-20130252964-A1 Compounds And Methods For Treating Candidiasis And Aspergillus Infections ERG28, DPM1, MANBA MMP2 169/4885KLKB1 747/4885TSHR 4239/4885

“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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