SCHEMBL4881536

SCHEMBL4881536

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
ALDH1A1 P00352 2/20 0.50
HSPA5 P11021 4/20 0.47
CTSL P07711 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FOLH1 Q04609 2/20 0.44
HDAC1 Q13547 2/20 0.44
HSPA1A P0DMV8 1/20 0.44
HSPA9 P38646 1/20 0.44
HSPA2 P54652 1/20 0.44
SERPINE1 P05121 2/20 0.43

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
SCHEMBL10569530 0.89 ALDH1A1 (0.55) HPGDALDH1A1HSPA5CTSLRAB9A
SCHEMBL1605401 0.89 ALDH1A1 (0.55) HPGDALDH1A1HSPA5CTSLRAB9A
Methylamine SCHEMBL10771739 0.86 HPGD (0.53) HPGDALDH1A1HSPA5CTSLRAB9A
SCHEMBL4874253 0.84 HPGD (0.44) HPGDALDH1A1HSPA5CTSLRAB9A
SCHEMBL4384045 0.82 CA2 (0.53) HPGDALDH1A1HSPA5CTSLRAB9A
SCHEMBL11399400 0.81 HPGD (0.64) HPGDALDH1A1RAB9AKDM4ECYP1A2
SCHEMBL2364398 0.80 HPGD (0.54) HPGDALDH1A1CTSLRAB9AKDM4E
SCHEMBL9830868 0.79 CA2 (0.53) HPGDFOLH1HDAC1
SCHEMBL9705401 0.79 RAB9A (0.54) HPGDALDH1A1HSPA5CTSLRAB9A
SCHEMBL11386076 0.79 RAB9A (0.54) HPGDALDH1A1HSPA5CTSLRAB9A

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 445/4885ALDH1A1 235/4885HSPA5 1677/4885

“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.