SCHEMBL4874253

SCHEMBL4874253

CC(C)(C)OC(=O)CCCCC[C@H](NC(=O)c1cccs1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
HSPA5 P11021 3/20 0.44
CTSL P07711 1/20 0.43
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CTSK P43235 3/20 0.40
CTSS P25774 2/20 0.40
CTSB P07858 1/20 0.39
FOLH1 Q04609 2/20 0.39

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
SCHEMBL27686259 0.90 HSPA5 (0.43) HPGDHSPA5CTSLALDH1A1RAB9A
SCHEMBL4881536 0.84 HPGD (0.57) HPGDHSPA5CTSLALDH1A1RAB9A
Methylamine SCHEMBL10771739 0.76 HPGD (0.53) HPGDHSPA5CTSLALDH1A1RAB9A
SCHEMBL1605401 0.76 ALDH1A1 (0.55) HPGDHSPA5CTSLALDH1A1RAB9A
SCHEMBL5066733 0.76 FOLH1 (0.43) ALDH1A1SMN1; SMN2GAAKDM4ECTSK
SCHEMBL2074961 0.76 CTSK (0.50) ALDH1A1TSHRGAACTSKCTSS
SCHEMBL5279118 0.76 CTSK (0.50) ALDH1A1TSHRGAACTSKCTSS
SCHEMBL10569530 0.76 ALDH1A1 (0.55) HPGDHSPA5CTSLALDH1A1RAB9A
SCHEMBL6520376 0.75 GPR132 (0.47) LMNA
SCHEMBL27793048 0.75 C3AR1 (0.63)

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-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase MERCK & CO., INC. 2008-10-23 US disclosed
EP-1768956-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-04-04 EP disclosed
WO-2006005955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-01-19 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-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 HPGD 445/4885HSPA5 1677/4885CTSL 1869/4885

“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.