SCHEMBL21371960

SCHEMBL21371960

COc1ccc(NC(=O)[C@H](CCCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cc(NC(=O)[C@H](CCCCN)NC(=O)c4cc(NC(=O)[C@H](CCCCN)NC(=O)c5ccccc5)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.48
▸ HDAC4 P56524 9/20 0.48
▸ HDAC3 O15379 7/20 0.48
▸ HDAC7 Q8WUI4 7/20 0.48
▸ HDAC2 Q92769 7/20 0.48
▸ HDAC10 Q969S8 7/20 0.48
▸ HDAC11 Q96DB2 7/20 0.48
▸ HDAC8 Q9BY41 7/20 0.48
▸ HDAC6 Q9UBN7 7/20 0.48
▸ HDAC9 Q9UKV0 7/20 0.48
▸ HDAC5 Q9UQL6 7/20 0.48
▸ TSHR P16473 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MEF2D Q14814 2/20 0.43
▸ PLG P00747 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ LNPEP Q9UIQ6 2/20 0.42
▸ ERAP2 Q6P179 1/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL19219853 1.00 HDAC1 (0.48) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL12515244 0.99 HDAC1 (0.47) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL19445793 0.99 HDAC1 (0.47) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL21372022 0.94 HDAC1 (0.44) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL12514985 0.93 MMP2 (0.43) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL12515486 0.92 MMP2 (0.45) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL19486199 0.92 TSHR (0.44) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL19945230 0.92 TSHR (0.44) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL19486027 0.91 KLKB1 (0.45) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL19944728 0.91 KLKB1 (0.45) HDAC1HDAC4HDAC3HDAC7HDAC2

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 HDAC1 562/4885HDAC4 454/4885HDAC3 328/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HDAC1 562/4885HDAC4 454/4885HDAC3 328/4885

“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.

Send feedback