SCHEMBL6158044

SCHEMBL6158044

CC(C)CCC(=O)Nc1c[c]ccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
HDAC3 O15379 7/20 0.45
HDAC1 Q13547 7/20 0.45
HDAC2 Q92769 7/20 0.45
HDAC8 Q9BY41 7/20 0.45
HDAC6 Q9UBN7 7/20 0.45
HDAC4 P56524 6/20 0.45
HDAC7 Q8WUI4 6/20 0.45
HDAC10 Q969S8 6/20 0.45
HDAC11 Q96DB2 6/20 0.45
HDAC9 Q9UKV0 6/20 0.45
HDAC5 Q9UQL6 6/20 0.45
KCNJ11 Q14654 1/20 0.41
P2RX7 Q99572 1/20 0.41
LTA4H P09960 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
CIT O14578 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1418810 0.83 ALDH1A1 (0.57) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1419036 0.81 MAPT (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3108447 0.81 TERT (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1259422 0.80 HDAC3 (0.63) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL7320242 0.80 ALDH1A1 (0.52) NAMPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL3333827 0.80 L3MBTL1 (0.60) LMNASMN1; SMN2
SCHEMBL359542 0.79 GAA (0.54) LMNAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1418957 0.79 TERT (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7469487 0.79 LMNA (0.56) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL9739986 0.78 LMNA (0.58) NAMPTHDAC3HDAC1HDAC2HDAC8

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (1 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP NAMPT 2047/4885HDAC3 3036/4885HDAC1 1404/4885

“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.