SCHEMBL4950100

SCHEMBL4950100

C[C@@H](Cn1ncc2ccc3c(c21)O[C@H](CO)CO3)NC(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
CYP1A2 P05177 3/20 0.37
CASP1 P29466 2/20 0.36
CASP3 P42574 2/20 0.36
CASP7 P55210 2/20 0.36
CASP6 P55212 2/20 0.36
CASP8 Q14790 2/20 0.36
CTSK P43235 3/20 0.36
CAPN1 P07384 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
ELANE P08246 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CCR1 P32246 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4950109 1.00 ATM (0.39) ATMCYP1A2CASP1CASP3CASP7
SCHEMBL4951270 1.00 ATM (0.39) ATMCYP1A2CASP1CASP3CASP7
SCHEMBL4951359 0.87 ATM (0.42) ATMCYP1A2CTSKCAPN1CTSS
SCHEMBL5087976 0.83 ATM (0.39) ATMCYP1A2CASP1CASP3CASP7
SCHEMBL5087983 0.83 ATM (0.39) ATMCYP1A2CASP1CASP3CASP7
SCHEMBL4951378 0.79 HTR2A (0.34)
SCHEMBL3962356 0.78 ATM (0.43) ATMCTSKCTSLCTSSELANE
SCHEMBL4948402 0.78 CYP1A2 (0.37) ATMCYP1A2CASP1CASP3CASP7
SCHEMBL4953959 0.78 CYP1A2 (0.37) ATMCYP1A2CASP1CASP3CASP7
SCHEMBL14277715 0.77 ATM (0.38) ATMCYP1A2CTSKCAPN1CTSL

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 2 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
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 ATM 3304/4885CYP1A2 157/4885CASP1 3780/4885

“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.