SCHEMBL22217751

SCHEMBL22217751

CCc1ccc(N(Cc2ccc(C(=O)OC)cc2F)C(=O)N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
ATM Q13315 1/20 0.37
HTR2A P28223 3/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
PKM P14618 1/20 0.34
AR P10275 1/20 0.34
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL22217753 0.93 ATM (0.38) ALDH1A1ATMHTR2AKDM4ECYP1A2
SCHEMBL22218076 0.92 ALDH1A1 (0.42) ALDH1A1ATMKDM4ECYP1A2CYP3A4
SCHEMBL30520001 0.92 ALDH1A1 (0.42) ALDH1A1ATMKDM4ECYP1A2CYP3A4
SCHEMBL22217606 0.91 ALDH1A1 (0.40) ALDH1A1ATMKDM4ECYP1A2CYP3A4
SCHEMBL22217620 0.91 CHKA (0.41) ALDH1A1ATMKDM4ESMN1; SMN2MAPT
SCHEMBL22218176 0.91 HDAC6 (0.35) ALDH1A1HTR2ALMNAMAPTRAB9A
SCHEMBL22217694 0.90 ALDH1A1 (0.41) ALDH1A1ATMHTR2ACYP1A2CYP3A4
SCHEMBL22217588 0.90 ALDH1A1 (0.41) ALDH1A1ATMKDM4ECYP1A2CYP3A4
SCHEMBL22217729 0.90 ALDH1A1 (0.41) ALDH1A1HTR2AKDM4EPKMTSHR
SCHEMBL22217615 0.90 ALDH1A1 (0.42) ALDH1A1ATMKDM4ECYP1A2CYP3A4

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
EP-3331864-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2021-11-03 EP disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 US disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 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 (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-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same HDAC1, HDAC5, HDAC2 ALDH1A1 152/4885ATM 2044/4885HTR2A 2543/4885

“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.