SCHEMBL21371604

SCHEMBL21371604

COc1ccc(NC(=O)[C@H](CCCCN)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(C)=O)ccc4OC)ccc3OC)ccc2F)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ KLKB1 P03952 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MMP2 P08253 3/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ CPA2 P48052 1/20 0.37
▸ CPA4 Q9UI42 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
SCHEMBL10262850 0.95 KLKB1 (0.42) KMT2AKLKB1MEN1TSHRMMP2
SCHEMBL16907359 0.95 KLKB1 (0.42) KMT2AKLKB1MEN1TSHRMMP2
SCHEMBL12767238 0.92 ALDH1A1 (0.43) KMT2AKLKB1MEN1TSHRMMP2
SCHEMBL12515365 0.92 ALDH1A1 (0.43) KMT2AKLKB1MEN1TSHRMMP2
SCHEMBL19445643 0.91 ALDH1A1 (0.43) KMT2AKLKB1MEN1TSHRMMP2
SCHEMBL13978369 0.89 ALDH1A1 (0.44) KMT2AKLKB1MEN1TSHRMMP2
SCHEMBL12766955 0.88 MMP2 (0.43) KMT2AKLKB1MEN1TSHRMMP2
SCHEMBL13978413 0.88 ALDH1A1 (0.40) KMT2AKLKB1MEN1TSHRMMP2
SCHEMBL10261735 0.87 KLKB1 (0.41) KMT2AKLKB1MEN1TSHRMMP2
SCHEMBL10260677 0.87 KLKB1 (0.41) KMT2AKLKB1MEN1TSHRMMP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 KMT2A 3256/4885KLKB1 1324/4885MEN1 2352/4885

“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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