SCHEMBL719913

SCHEMBL719913

CCC1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.37
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP2D6 P10635 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP13 P45452 1/20 0.33
CACNB4 O00305 1/20 0.32
CACNA1A O00555 1/20 0.32
CACNA1G O43497 1/20 0.32

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
SCHEMBL9921218 0.83 TP53 (0.50) TP53L3MBTL1HTTLMNAALDH1A1
SCHEMBL24267701 0.82 TP53 (0.46) TP53L3MBTL1HTTALDH1A1ATM
SCHEMBL14670935 0.78 L3MBTL1 (0.47) TP53L3MBTL1HTTLMNAALDH1A1
SCHEMBL11808421 0.77 CYP19A1 (0.37) ALDH1A1SMN1; SMN2GAA
SCHEMBL13252481 0.77 ALDH1A1 (0.45) TP53L3MBTL1HTTALDH1A1ATM
SCHEMBL15014638 0.76 TP53 (0.43) TP53L3MBTL1HTTALDH1A1ATM
SCHEMBL24456475 0.76 TP53 (0.43) TP53L3MBTL1HTTALDH1A1ATM
SCHEMBL10289418 0.76 TP53 (0.43) TP53L3MBTL1HTTALDH1A1ATM
SCHEMBL717538 0.75 ALDH1A1 (0.60) L3MBTL1HTTLMNAALDH1A1NPC1
SCHEMBL10059958 0.75 TP53 (0.43) TP53L3MBTL1HTTLMNAALDH1A1

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-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 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-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS GPR119, GLP1R, GIPR TP53 4078/4885L3MBTL1 2535/4885HTT 2552/4885

“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.