SCHEMBL10199113

SCHEMBL10199113

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)ccc4C)ccc3OC)ccc2OCC(=O)O)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 5/20 0.40
▸ LNPEP Q9UIQ6 4/20 0.40
▸ FFAR1 O14842 3/20 0.40
▸ ERAP1 Q9NZ08 3/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ SUV39H2 Q9H5I1 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ KCNB1 Q14721 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ S1PR1 P21453 1/20 0.36

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
SCHEMBL12444347 0.96 ERAP2 (0.43) ERAP2LNPEPFFAR1ERAP1LTA4H
SCHEMBL10199137 0.96 ERAP2 (0.43) ERAP2LNPEPFFAR1ERAP1LTA4H
SCHEMBL10199226 0.96 ERAP2 (0.43) ERAP2LNPEPFFAR1ERAP1LTA4H
SCHEMBL12444349 0.96 ERAP2 (0.43) ERAP2LNPEPFFAR1ERAP1LTA4H
SCHEMBL19219773 0.95 ERAP2 (0.42) ERAP2LNPEPFFAR1ERAP1LTA4H
SCHEMBL21371614 0.95 ERAP2 (0.42) ERAP2LNPEPFFAR1ERAP1LTA4H
SCHEMBL21371982 0.95 ERAP2 (0.42) ERAP2LNPEPFFAR1ERAP1LTA4H
SCHEMBL13978374 0.94 MMP2 (0.41) ERAP2LNPEPFFAR1ERAP1LTA4H
SCHEMBL13978361 0.93 ERAP2 (0.41) ERAP2LNPEPFFAR1ERAP1LTA4H
SCHEMBL15138936 0.89 ERAP2 (0.47) ERAP2LNPEPERAP1LTA4HSUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 — — US disclosed
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 — — US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 — — US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 — — 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-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 ERAP2 1201/4885LNPEP 922/4885FFAR1 1192/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 ERAP2 1201/4885LNPEP 922/4885FFAR1 1192/4885

“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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