SCHEMBL4948402

SCHEMBL4948402

C[C@@H](Cn1ncc2ccc(OC[C@H]3CO3)c(C=O)c21)NC(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
ATM Q13315 1/20 0.37
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CTSB P07858 1/20 0.36
CAPN1 P07384 3/20 0.36
PREP P48147 2/20 0.35
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
ELANE P08246 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL4953959 1.00 CYP1A2 (0.37) CYP1A2ATMCTSSCTSKCTSB
SCHEMBL14277715 0.89 ATM (0.38) CYP1A2ATMCTSSCTSKCTSB
SCHEMBL3960378 0.83 ATM (0.42) ATMCTSSCTSKCASP1ELANE
SCHEMBL3962685 0.83 ATM (0.42) ATMCTSSCTSKCASP1ELANE
SCHEMBL4950100 0.78 ATM (0.39) CYP1A2ATMCTSSCTSKCAPN1
SCHEMBL4950109 0.78 ATM (0.39) CYP1A2ATMCTSSCTSKCAPN1
SCHEMBL4951270 0.78 ATM (0.39) CYP1A2ATMCTSSCTSKCAPN1
SCHEMBL4951359 0.76 ATM (0.42) CYP1A2ATMCTSSCTSKCTSB
SCHEMBL14290447 0.76 HTR2A (0.34)
SCHEMBL4952732 0.74 ATM (0.39) ATMCTSSCTSKELANECTSL

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-7425572-B2 Use of dioxindoindazoles and dioxoloindazoles for treating glaucoma ALCON, INC. (CH) 2008-09-16 US disclosed
WO-2006062839-A1 USE OF DIOXINDOINDAZOLES AND DIOXOLOINDAZOLES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2006-06-15 WO disclosed
US-20060122251-A1 Use of dioxindoindazoles and dioxoloindazoles for treating glaucoma ALCON, INC. 2006-06-08 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-20060122251-A1 Use of dioxindoindazoles and dioxoloindazoles for treating glaucoma CYP11B2, CYP11B1, PDE3A CYP1A2 157/4885ATM 3304/4885CTSS 4636/4885

“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.