SCHEMBL21371588

SCHEMBL21371588

COc1ccc(NC(=O)[C@H](CCCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCCN)NC(=O)c3cc(NC(=O)[C@H](CCCCN)NC(=O)c4cc(C(=O)NCCCCCN)c(OC)cc4OC)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ AKT3 Q9Y243 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ SIRT1 Q96EB6 2/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL10262875 1.00 ROCK2 (0.39) ROCK2PRKACAAKT3KLKB1TSHR
SCHEMBL19445498 1.00 ROCK2 (0.39) ROCK2PRKACAAKT3KLKB1TSHR
SCHEMBL19944875 0.89 ERAP2 (0.42) ROCK2KLKB1TSHR
SCHEMBL19445643 0.88 ALDH1A1 (0.43) KLKB1TSHRMMP2HDAC1MEN1
SCHEMBL19445833 0.88 KLKB1 (0.42) KLKB1TSHRMMP2HDAC1KMT2A
SCHEMBL12516946 0.88 KLKB1 (0.42) KLKB1TSHRMMP2HDAC1KMT2A
SCHEMBL19944721 0.88 ERAP2 (0.42) KLKB1TSHRMMP2
SCHEMBL19945106 0.88 ERAP2 (0.41) —
SCHEMBL21371597 0.87 KLKB1 (0.41) KLKB1TSHRMMP2HDAC1MEN1
SCHEMBL21371927 0.87 KLKB1 (0.41) KLKB1TSHRMMP2HDAC1MEN1

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-10603294-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2020-03-31 — — US disclosed
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. 2019-09-19 — — 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-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 ROCK2 4195/4885PRKACA 1413/4885AKT3 3437/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 ROCK2 4195/4885PRKACA 1413/4885AKT3 3437/4885

“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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