SCHEMBL10199166

SCHEMBL10199166

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](C)CCCCN)ccc4OCC(=O)O)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.41
▸ MMP2 P08253 5/20 0.40
▸ KCNB1 Q14721 6/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ ITGB5 P18084 1/20 0.38
▸ KCNA5 P22460 3/20 0.38
▸ KLKB1 P03952 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ KCNK2 O95069 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
SCHEMBL19445719 0.93 KLKB1 (0.41) MMP2KCNB1TSHRKCNA5KLKB1
SCHEMBL10199226 0.92 ERAP2 (0.43) FFAR1MMP2TSHRITGB3ITGB1
SCHEMBL10199137 0.92 ERAP2 (0.43) FFAR1MMP2TSHRITGB3ITGB1
SCHEMBL12444349 0.92 ERAP2 (0.43) FFAR1MMP2TSHRITGB3ITGB1
SCHEMBL12444347 0.92 ERAP2 (0.43) FFAR1MMP2TSHRITGB3ITGB1
SCHEMBL12514985 0.91 MMP2 (0.43) FFAR1MMP2TSHRITGB3ITGB1
SCHEMBL19219773 0.91 ERAP2 (0.42) FFAR1MMP2TSHRITGB3ITGB1
SCHEMBL21371982 0.91 ERAP2 (0.42) FFAR1MMP2TSHRITGB3ITGB1
SCHEMBL21371614 0.91 ERAP2 (0.42) FFAR1MMP2TSHRITGB3ITGB1
SCHEMBL21372022 0.90 HDAC1 (0.44) FFAR1MMP2TSHRITGB3ITGB1

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 FFAR1 1192/4885MMP2 3191/4885KCNB1 3952/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 FFAR1 1192/4885MMP2 3191/4885KCNB1 3952/4885

“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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