SCHEMBL21371927

SCHEMBL21371927

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](C)N)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MMP2 P08253 2/20 0.40
▸ KCNB1 Q14721 4/20 0.40
▸ ERAP2 Q6P179 5/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ LNPEP Q9UIQ6 2/20 0.38
▸ ERAP1 Q9NZ08 2/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ SUV39H2 Q9H5I1 1/20 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
SCHEMBL10260677 0.99 KLKB1 (0.41) KLKB1TSHRMMP2KCNB1ERAP2
SCHEMBL10261754 0.93 ERAP2 (0.46) KLKB1TSHRMMP2ERAP2HDAC1
Delparantag SCHEMBL10262676 0.91 ERAP2 (0.47) KLKB1TSHRMMP2ERAP2AAK1
Delparantag SCHEMBL10267622 0.91 ERAP2 (0.47) KLKB1TSHRMMP2ERAP2AAK1
Delparantag SCHEMBL31024631 0.91 ERAP2 (0.47) KLKB1TSHRMMP2ERAP2AAK1
Delparantag SCHEMBL10260914 0.91 ERAP2 (0.47) KLKB1TSHRMMP2ERAP2AAK1
SCHEMBL15138936 0.91 ERAP2 (0.47) KLKB1TSHRMMP2ERAP2AAK1
SCHEMBL19445643 0.91 ALDH1A1 (0.43) KLKB1TSHRMMP2KCNB1HDAC1
Delparantag SCHEMBL19445838 0.91 ERAP2 (0.47) KLKB1TSHRMMP2ERAP2AAK1
Delparantag SCHEMBL19445836 0.91 ERAP2 (0.47) KLKB1TSHRMMP2ERAP2AAK1

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

“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