SCHEMBL20063688

SCHEMBL20063688

C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
CTSK P43235 11/20 0.40
CTSS P25774 7/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
CYP2D6 P10635 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
SCHEMBL15456301 1.00 SMN1; SMN2 (0.41) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL28511486 0.82 CYP2D6 (0.47) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL9754187 0.82 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL28216119 0.82 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL18428130 0.82 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL28511485 0.82 CYP2D6 (0.47) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL20072905 0.81 SMN1; SMN2 (0.43) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL2728681 0.79 CTSK (0.47) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL212773 0.79 CTSK (0.47) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL16289367 0.79 SMN1; SMN2 (0.49) SMN1; SMN2CTSKCTSSCA1CA2

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-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (2 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-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 SMN1; SMN2 417/4885CTSK 2607/4885CTSS 2205/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SMN1; SMN2 1229/4885CTSK 2350/4885CTSS 1981/4885

“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.