SCHEMBL2787667

SCHEMBL2787667

CCCCC(NC(=O)OCc1ccccc1)c1nc(-c2ccccc2OC)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
AAK1 Q2M2I8 3/20 0.42
SIRT2 Q8IXJ6 3/20 0.41
SIRT1 Q96EB6 2/20 0.41
SIRT3 Q9NTG7 1/20 0.41
CTSK P43235 2/20 0.41
CTSB P07858 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2787669 1.00 CTSL (0.44) CTSLCTSSHDAC1HDAC6HDAC3
SCHEMBL4324281 0.87 CTSL (0.51) CTSLCTSSHDAC1HDAC6HDAC3
SCHEMBL4324286 0.87 CTSL (0.51) CTSLCTSSHDAC1HDAC6HDAC3
SCHEMBL2349053 0.84 CTSA (0.41) HDAC1HDAC3MAPTMAPK1
SCHEMBL2349057 0.84 CTSA (0.41) HDAC1HDAC3MAPTMAPK1
SCHEMBL1926968 0.78 CYP1A2 (0.40) LMNAMAPK1
SCHEMBL1926966 0.78 CYP1A2 (0.40) LMNAMAPK1
SCHEMBL1926967 0.78 CYP1A2 (0.40) LMNAMAPK1
SCHEMBL2787584 0.77 CTSL (0.40) CTSLCTSSHDAC1HDAC6HDAC3
SCHEMBL2787582 0.77 CTSL (0.40) CTSLCTSSHDAC1HDAC6HDAC3

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-7691859-B2 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2010-04-06 US disclosed
EP-1382607-B1 Prenyl transferase inhibitors IPSEN PHARMA (FR) 2009-08-19 EP disclosed
US-20080176835-A1 Prenyl Transferase Inhibitors BIOMEASURE, INCORPORATED 2008-07-24 US disclosed
US-7361656-B2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2008-04-22 US disclosed
US-7084135-B1 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2006-08-01 US disclosed
US-20060142275-A1 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2006-06-29 US disclosed
EP-1140942-B1 PRENYL TRANSFERASE INHIBITORS CONSEILS DE RECH SET D APPLIC (FR) 2004-03-10 EP disclosed
EP-1382607-A2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-21 EP 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-20080176835-A1 Prenyl Transferase Inhibitors FNTA, FNTB, RCE1 CTSL 4367/4885CTSS 4039/4885HDAC1 424/4885
US-20060142275-A1 Prenyl transferase inhibitors FNTA, FNTB, RCE1 CTSL 4367/4885CTSS 4039/4885HDAC1 424/4885

“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.