SCHEMBL17949554

SCHEMBL17949554

CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.77
SCN9A Q15858 1/20 0.70
CTSL P07711 4/20 0.68
CTSS P25774 1/20 0.68
CTSK P43235 1/20 0.68
MAPT P10636 5/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
TP53 P04637 3/20 0.65
ACE P12821 1/20 0.62
LMNA P02545 1/20 0.61
THRB P10828 1/20 0.61
KLK7 P49862 1/20 0.59
MMP2 P08253 1/20 0.59
MMP3 P08254 1/20 0.59
SSTR3 P32745 1/20 0.58

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
SCHEMBL31236325 1.00 TACR1 (0.77) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL621684 0.91 TACR1 (0.78) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL1486155 0.91 TACR1 (0.78) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL29400174 0.91 TACR1 (0.78) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL5251038 0.91 TACR1 (0.78) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL3644751 0.89 TACR1 (0.72) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL9833806 0.89 TACR1 (0.66) TACR1SCN9ACTSLCTSSCTSK
SCHEMBL8697113 0.89 TACR1 (0.82) TACR1CTSLCTSSCTSKMAPT
SCHEMBL5355362 0.89 TACR1 (0.82) TACR1CTSLCTSSCTSKMAPT
SCHEMBL29397912 0.89 TACR1 (0.82) TACR1CTSLCTSSCTSKMAPT

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-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2016-07-28 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-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 TACR1 4684/4885SCN9A 3333/4885CTSL 3726/4885

“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.