SCHEMBL720485

SCHEMBL720485

CS(=O)(=O)c1ccc(OCc2cn(C3CCC(Oc4ncccn4)CC3)nn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
CA12 O43570 12/20 0.43
CA2 P00918 12/20 0.43
CA9 Q16790 12/20 0.43
CA1 P00915 11/20 0.43
CYP19A1 P11511 2/20 0.39
PTGS2 P35354 1/20 0.37
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
RXRA P19793 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
VCP P55072 1/20 0.36
TERT O14746 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA5B Q9Y2D0 2/20 0.36

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
SCHEMBL718521 0.90 LOXL2 (0.42) LOXL2CA12CA2CA9CA1
SCHEMBL718371 0.89 GPR119 (0.42) LOXL2CA12CA2CA9CA1
Tert-Butyl Formate SCHEMBL28786710 0.75 LOXL2 (0.44) LOXL2CA12CA2CA9CA1
SCHEMBL4289925 0.74 GPR119 (0.61)
SCHEMBL16242409 0.73 GPR119 (0.46) LOXL2
SCHEMBL720852 0.64 GPR119 (0.51) PTGS2
SCHEMBL722541 0.64 GPR119 (0.48) CA12CA2CA9CA1CA7
SCHEMBL21178117 0.62 EPHX2 (0.35) PTGS2CYP2C19
SCHEMBL21177913 0.62 EPHX2 (0.35) PTGS2CYP2C19
SCHEMBL16042062 0.62 EPHX2 (0.35) PTGS2CYP2C19

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 LOXL2 3276/4885CA12 2010/4885CA2 251/4885

“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.