SCHEMBL5382786

SCHEMBL5382786

CC(C)(C)OC(=O)N(Cc1ccccc1)C1CCN(C(=O)CCCCC2CCSS2)CC1N=C(N)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.43
HSD11B1 P28845 1/20 0.38
SIGMAR1 Q99720 1/20 0.34
BCHE P06276 2/20 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
SCHEMBL6599688 0.91 NOS1 (0.48) NOS1SIGMAR1BCHE
SCHEMBL5382789 0.82 NOS1 (0.50) NOS1HSD11B1
SCHEMBL5382783 0.82 NOS1 (0.50) NOS1HSD11B1
SCHEMBL5386958 0.75 SLC6A2 (0.37) NOS1HSD11B1
SCHEMBL6599689 0.74 NOS1 (0.55) NOS1
SCHEMBL6599685 0.74 NOS1 (0.55) NOS1
SCHEMBL6600587 0.71 NOS1 (0.49) NOS1
SCHEMBL6600588 0.70 NOS1 (0.51) NOS1
SCHEMBL6599663 0.69 NOS1 (0.53) NOS1
SCHEMBL6600583 0.68 NOS1 (0.52) NOS1

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-6936715-B2 Lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2005-08-30 US claimed
EP-1265891-B1 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES CONSEILS DE RECH SET D APPLIC (FR) 2004-12-29 EP claimed
US-20030105107-A1 Novel lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines IPSEN PHARMA S.A.S. (FR) 2003-06-05 US claimed
US-7285664-B2 Heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments S.C.R.A.S. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2007-10-23 US disclosed
US-20050227991-A1 New heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-10-13 US disclosed
US-6936715-B2 Lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2005-08-30 US disclosed
US-20030105107-A1 Novel lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines IPSEN PHARMA S.A.S. (FR) 2003-06-05 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-20030105107-A1 Novel lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines LTC4S, LPO, COASY NOS1 29/4885HSD11B1 993/4885SIGMAR1 1451/4885
US-20050227991-A1 New heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments LPO, LTC4S, BBOX1 NOS1 4/4885HSD11B1 1184/4885SIGMAR1 1008/4885

“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.