SCHEMBL4620561

SCHEMBL4620561

COC1OCC[C@@H]1NC(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.38
METAP2 P50579 5/20 0.34
METAP1 P53582 3/20 0.34
REN P00797 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSC P53634 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSK P43235 1/20 0.32
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL4689653 0.84 CPB2 (0.39) CTSKCPB2
SCHEMBL3635784 0.81 CAPN1 (0.39) AAK1
SCHEMBL5705285 0.78 CAPN1 (0.33)
SCHEMBL5705391 0.78 CTSL (0.35) CTSLCTSBCTSHCTSKCPB2
SCHEMBL4807068 0.76 ARG1 (0.34)
SCHEMBL4801806 0.75 CAPN1 (0.46)
SCHEMBL4623776 0.75 ALPI (0.41) CTSC
SCHEMBL4623099 0.74 CAPN1 (0.45)
SCHEMBL5705300 0.72 NPSR1 (0.31)
SCHEMBL27192850 0.72 EPHX1 (0.46) METAP2KMT2ACPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465721-B2 2-hydroxytetrahydrofuran derivatives and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-12-16 US disclosed
US-7384933-B2 Derivatives of 2-hydroxytetrahydrofuran and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-06-10 US disclosed
EP-1701974-B1 NOVEL 2-HYDROXYTETRAHYDROFURANE DERIVATIVES AND USE THEREOF AS MEDICAMENTS SOD CONSEILS RECH APPLIC (FR) 2008-03-26 EP disclosed
EP-1701974-A2 NOVEL 2-HYDROXYTETRAHYDROFURANE DERIVATIVES AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-09-20 EP disclosed
US-20060166893-A1 Novel 2-hydroxytetrahydrofurane derivatives and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2006-07-27 US disclosed
US-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-10-06 US disclosed
WO-2005056551-A2 NOVEL 2-HYDROXYTETRAHYDROFURANE DERIVATIVES AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-06-23 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 (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-20060166893-A1 Novel 2-hydroxytetrahydrofurane derivatives and use thereof as medicaments CAPN2, CAPN1, CAPNS1 AAK1 2686/4885METAP2 879/4885METAP1 920/4885
US-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments CAPN1, MYH10, CAPN9 AAK1 3964/4885METAP2 3419/4885METAP1 2765/4885

“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.