SCHEMBL16383333

SCHEMBL16383333

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.66
CTSL P07711 2/20 0.60
CTSS P25774 1/20 0.60
CTSK P43235 1/20 0.60
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
HCRTR1 O43613 1/20 0.59
MAPT P10636 3/20 0.57
ACE P12821 2/20 0.57
TP53 P04637 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
NPBWR1 P48145 1/20 0.54
MCHR1 Q99705 1/20 0.54

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
SCHEMBL5246183 1.00 TACR1 (0.66) TACR1CTSLCTSSCTSKKMT2A
SCHEMBL5246171 1.00 TACR1 (0.66) TACR1CTSLCTSSCTSKKMT2A
SCHEMBL10174744 0.91 ACE (0.70) TACR1CTSLCTSSCTSKMAPT
SCHEMBL5253098 0.91 ACE (0.70) TACR1CTSLCTSSCTSKMAPT
SCHEMBL5253093 0.91 ACE (0.70) TACR1CTSLCTSSCTSKMAPT
SCHEMBL5251038 0.91 TACR1 (0.78) TACR1CTSLCTSSCTSKKMT2A
SCHEMBL621684 0.91 TACR1 (0.78) TACR1CTSLCTSSCTSKKMT2A
SCHEMBL1486155 0.91 TACR1 (0.78) TACR1CTSLCTSSCTSKKMT2A
SCHEMBL29400174 0.91 TACR1 (0.78) TACR1CTSLCTSSCTSKKMT2A
SCHEMBL20829903 0.87 TACR1 (0.72) TACR1CTSLCTSSCTSKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382193-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-8921599-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2014-12-30 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-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO TMT1A, LPO, GSTO1 TACR1 1746/4885CTSL 2981/4885CTSS 2126/4885

“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.