SCHEMBL10131781

SCHEMBL10131781

CC(C)(C)OC(=O)N[C@H](CCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 4/20 0.53
▸ IDO1 P14902 1/20 0.51
▸ TLR2 O60603 2/20 0.49
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ TNF P01375 3/20 0.47
▸ PPARG P37231 3/20 0.47
▸ PPARA Q07869 3/20 0.47
▸ ACE P12821 1/20 0.46
▸ PPARD Q03181 2/20 0.45

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
SCHEMBL14381107 1.00 MDM2 (0.53) MDM2IDO1TLR2MDM4TP53
SCHEMBL29400768 1.00 MDM2 (0.53) MDM2IDO1TLR2MDM4TP53
SCHEMBL30954533 0.92 MDM2 (0.51) MDM2IDO1TLR2MDM4TP53
SCHEMBL30649315 0.92 MDM2 (0.55) MDM2TLR2MDM4TP53TNF
SCHEMBL29768913 0.92 MDM2 (0.55) MDM2TLR2MDM4TP53TNF
SCHEMBL29352017 0.92 MDM2 (0.55) MDM2TLR2MDM4TP53TNF
SCHEMBL120511 0.92 MDM2 (0.55) MDM2TLR2MDM4TP53TNF
SCHEMBL117964 0.92 MDM2 (0.55) MDM2TLR2MDM4TP53TNF
SCHEMBL29792120 0.92 MDM2 (0.55) MDM2TLR2MDM4TP53TNF
SCHEMBL29792372 0.92 MDM2 (0.55) MDM2TLR2MDM4TP53TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324210-B2 Pterin analogs BIOMARIN PHARMACEUTICAL, INC. (US) 2012-12-04 — — US disclosed
US-20120022072-A1 PTERIN ANALOGS BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-26 — — US disclosed
US-20120022072-A1 PTERIN ANALOGS BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-26 — — US disclosed
US-20100093742-A1 PTERIN ANALOGS BIOMARIN PHARMACEUTICAL, INC. (US) 2010-04-15 — — US disclosed
US-20100016328-A1 PTERIN ANALOGS BIOMARIN PHARMACEUTICAL, INC. (US) 2010-01-21 — — US disclosed
US-20100016328-A1 PTERIN ANALOGS BIOMARIN PHARMACEUTICAL, INC. (US) 2010-01-21 — — US disclosed
US-7601717-B2 Pterin analogs BIOMARIN PHARMACEUTICAL INC. (US) 2009-10-13 — — US disclosed
US-20090176790-A1 For treating conditions responsive to tetrahydrobiopterin therapies BIOMARIN PHARMACEUTICAL INC. (US) 2009-07-09 — — 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 (4 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-20100093742-A1 PTERIN ANALOGS DHFR, MTHFD2, HMBS MDM2 3765/4885IDO1 1139/4885TLR2 1098/4885
US-20100016328-A1 PTERIN ANALOGS DHFR, MTHFD2, HMBS MDM2 3765/4885IDO1 1139/4885TLR2 1098/4885
US-20120022072-A1 PTERIN ANALOGS DHFR, MTHFD2, HMBS MDM2 3765/4885IDO1 1139/4885TLR2 1098/4885
US-20090176790-A1 For treating conditions responsive to tetrahydrobiopterin therapies TPMT, LTB4R2, BDKRB2 MDM2 4502/4885IDO1 1288/4885TLR2 815/4885

“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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