SCHEMBL4801708

SCHEMBL4801708

COC1OCC[C@@H]1N(C(=O)[C@@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)c1ccccc1)C(=O)[C@@H](N)CC(C)C

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 19/20 0.62
CAPNS1 P04632 16/20 0.62
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4622782 0.93 CAPN1 (0.68) CAPN1CAPNS1
SCHEMBL5970897 0.91 CAPN1 (0.60) CAPN1CAPNS1
SCHEMBL4621656 0.88 CAPN1 (0.62) CAPN1CAPNS1MEN1KMT2A
SCHEMBL4806806 0.85 CAPN1 (0.67) CAPN1CAPNS1
SCHEMBL4621257 0.83 CAPN1 (0.67) CAPN1CAPNS1MEN1KMT2A
SCHEMBL4621814 0.82 CAPN1 (0.61) CAPN1CAPNS1
SCHEMBL4621661 0.81 CAPN1 (0.85) CAPN1CAPNS1
SCHEMBL4622615 0.80 CAPN1 (0.59) CAPN1CAPNS1
SCHEMBL4801705 0.80 CAPN1 (0.71) CAPN1CAPNS1
SCHEMBL5970558 0.80 CAPN1 (0.57) CAPN1CAPNS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 CAPN1 2/4885CAPNS1 3/4885MEN1 4463/4885
US-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments CAPN1, MYH10, CAPN9 CAPN1 1/4885CAPNS1 23/4885MEN1 4732/4885

“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.