SCHEMBL425834

SCHEMBL425834

CC(NC(=O)C(CCC(=O)O)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.48
CTSS P25774 8/20 0.48
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
FOLH1 Q04609 2/20 0.41
CAPN1 P07384 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL3386088 1.00 CTSK (0.48) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL10161266 1.00 CTSK (0.48) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL21724289 0.93 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL21724288 0.93 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL33528827 0.90 CTSK (0.49) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL33528044 0.90 CTSK (0.49) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL30064534 0.89 CTSK (0.45) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL30407324 0.85 REN (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL863895 0.85 CTSK (0.48) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL3773280 0.85 CTSK (0.48) CTSKCTSSCTSLCTSBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2224927-B1 PTERIN ANALOG FOR TREATING BH4 RESPONSIVE CONDITION BIOMARIN PHARM INC (US) 2014-08-20 EP disclosed
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
EP-2224927-A1 PTERIN ANALOG FOR TREATING BH4 RESPONSIVE CONDITION BioMarin Pharmaceutical Inc. (US) 2010-09-08 EP 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
EP-2114944-A2 TETRAHYDROBIOPTERIN PRODRUGS BioMarin Pharmaceutical Inc. (US) 2009-11-11 EP disclosed
US-7601717-B2 Pterin analogs BIOMARIN PHARMACEUTICAL INC. (US) 2009-10-13 US disclosed
WO-2009088530-A1 PTERIN ANALOG FOR TREATING BH4 RESPONSIVE CONDITION BIOMARIN PHARMACEUTICAL INC. (US) 2009-07-16 WO disclosed
US-20090176790-A1 For treating conditions responsive to tetrahydrobiopterin therapies BIOMARIN PHARMACEUTICAL INC. (US) 2009-07-09 US disclosed
WO-2008089008-A2 TETRAHYDROBIOPTERIN PRODRUGS BIOMARIN PHARMACEUTICAL INC. (US) 2008-07-24 WO 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 CTSK 2446/4885CTSS 2910/4885CTSL 1359/4885
US-20100016328-A1 PTERIN ANALOGS DHFR, MTHFD2, HMBS CTSK 2446/4885CTSS 2910/4885CTSL 1359/4885
US-20120022072-A1 PTERIN ANALOGS DHFR, MTHFD2, HMBS CTSK 2446/4885CTSS 2910/4885CTSL 1359/4885
US-20090176790-A1 For treating conditions responsive to tetrahydrobiopterin therapies TPMT, LTB4R2, BDKRB2 CTSK 1852/4885CTSS 2028/4885CTSL 1200/4885

“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.