SCHEMBL21372002

SCHEMBL21372002

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cc(NC(=O)[C@H](CCCCCN)NC(=O)c4cc(NC(=O)[C@H](CCCCCN)NC(=O)CC(=O)O)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.45
▸ TSHR P16473 1/20 0.42
▸ KLKB1 P03952 1/20 0.40
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNB1 Q14721 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37

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
SCHEMBL12518396 0.99 MMP2 (0.46) MMP2TSHRKLKB1PTGDR2HDAC1
SCHEMBL19486147 0.93 MMP2 (0.46) MMP2TSHRKLKB1PTGDR2HDAC1
SCHEMBL12515247 0.92 MMP2 (0.47) MMP2TSHRKLKB1PTGDR2HDAC1
SCHEMBL17949890 0.92 MMP2 (0.41) MMP2TSHRKLKB1PTGDR2HDAC1
SCHEMBL19445781 0.91 MMP2 (0.41) MMP2TSHRKLKB1PTGDR2HDAC1
SCHEMBL19445843 0.91 MMP2 (0.46) MMP2TSHRKLKB1PTGDR2HDAC1
SCHEMBL19945230 0.91 TSHR (0.44) MMP2TSHRKLKB1PTGDR2HDAC1
SCHEMBL19486199 0.91 TSHR (0.44) MMP2TSHRKLKB1PTGDR2HDAC1
SCHEMBL12515471 0.91 MMP2 (0.46) MMP2TSHRKLKB1PTGDR2HDAC1
SCHEMBL19445643 0.91 ALDH1A1 (0.43) MMP2TSHRKLKB1HDAC1MEN1

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 MMP2 367/4885TSHR 4275/4885KLKB1 1324/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 MMP2 367/4885TSHR 4275/4885KLKB1 1324/4885

“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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