SCHEMBL19008049

SCHEMBL19008049

C[C@@H](CN)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
GABRR1 P24046 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CTSK P43235 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 1/20 0.33
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL2687921 1.00 NOS1 (0.38) NOS1NOS3NOS2CA1CA2
Water SCHEMBL27959235 0.98 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL27697142 0.84 CA1 (0.33) NOS1NOS3NOS2CA1CA2
SCHEMBL6068166 0.83 GABRR1 (0.50) NOS1NOS3NOS2CA1CA2
SCHEMBL14944205 0.82 CA1 (0.36) NOS1NOS3NOS2CA1CA2
SCHEMBL14087668 0.82 CA1 (0.36) NOS1NOS3NOS2CA1CA2
SCHEMBL14593924 0.81 CA1 (0.38) NOS1NOS3NOS2CA1CA2
SCHEMBL16665545 0.79 CA1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL12309460 0.79 CA1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL6932447 0.79 KMT2A (0.36) NOS1NOS3NOS2CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174695-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-22 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-20170174695-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS TP53, MDM2, FOXM1 NOS1 2387/4885NOS3 2244/4885NOS2 2996/4885

“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.