SCHEMBL20063899

SCHEMBL20063899

COC(=O)[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
ACACB O00763 2/20 0.45
POLB P06746 3/20 0.43
LMNA P02545 4/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
TSHR P16473 3/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.40
CACNA1B Q00975 1/20 0.40
CASR P41180 1/20 0.40

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
SCHEMBL20063913 0.91 NOTUM (0.57) NOTUMACACBPOLBLMNAHSD17B10
SCHEMBL21838700 0.91 NOTUM (0.57) NOTUMACACBPOLBLMNAHSD17B10
SCHEMBL20063897 0.86 NOTUM (0.55) NOTUMACACBPOLBLMNAHSD17B10
SCHEMBL20063903 0.85 NOTUM (0.51) NOTUMACACBPOLBLMNAHSD17B10
SCHEMBL22499987 0.84 NOTUM (0.57) NOTUMACACBPOLBLMNASMN1; SMN2
SCHEMBL29689683 0.84 NOTUM (0.57) NOTUMACACBPOLBLMNASMN1; SMN2
SCHEMBL20063898 0.83 NOTUM (0.49) NOTUMACACBPOLBLMNAHSD17B10
SCHEMBL1337157 0.78 CACNA1B (0.63) NOTUMACACBPOLBLMNAMAPT
SCHEMBL25174416 0.78 NOTUM (0.73) NOTUMACACBPOLBLMNAHSD17B10
SCHEMBL30372031 0.78 NOTUM (0.73) NOTUMACACBPOLBLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (3 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 NOTUM 3035/4885ACACB 4731/4885POLB 4679/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 NOTUM 3035/4885ACACB 4731/4885POLB 4679/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 NOTUM 3022/4885ACACB 4749/4885POLB 4677/4885

“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.