SCHEMBL17949765

SCHEMBL17949765

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](N)CCCCN)ccc4OC)ccc3OC)ccc2OCC(N)=O)cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 6/20 0.46
▸ ERAP1 Q9NZ08 6/20 0.46
▸ LNPEP Q9UIQ6 5/20 0.46
▸ NPY1R P25929 3/20 0.46
▸ NPY2R P49146 3/20 0.46
▸ NPY4R P50391 3/20 0.46
▸ GHSR Q92847 4/20 0.46
▸ UTS2R Q9UKP6 1/20 0.45
▸ IL1RN P18510 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL12515258 0.95 ERAP2 (0.47) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL21371598 0.95 ERAP2 (0.47) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL19219805 0.95 ERAP2 (0.47) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL12515009 0.93 GHSR (0.47) ERAP2ERAP1LNPEPGHSRUTS2R
SCHEMBL17949851 0.91 UTS2R (0.43) GHSRUTS2RHDAC8HDAC3HDAC4
SCHEMBL19445785 0.90 ERAP1 (0.57) ERAP2ERAP1LNPEPIL1RN
SCHEMBL10262224 0.90 ERAP1 (0.57) ERAP2ERAP1LNPEPIL1RN
SCHEMBL19945114 0.89 ERAP1 (0.57) ERAP2ERAP1LNPEPIL1RN
SCHEMBL21371584 0.89 ERAP1 (0.57) ERAP2ERAP1LNPEPIL1RN
SCHEMBL10262860 0.88 SUV39H2 (0.48) ERAP2ERAP1LNPEPGHSRHDAC8

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-20160213668-A1 Compounds for use in Treatment of Mucostis INNOVATION PHARMACEUTICALS INC. 2016-07-28 — — 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-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 ERAP2 1201/4885ERAP1 2517/4885LNPEP 2208/4885

“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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