SCHEMBL10174744

SCHEMBL10174744

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

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.70
CTSL P07711 2/20 0.63
CTSS P25774 1/20 0.63
CTSK P43235 1/20 0.63
ALOX15 P16050 1/20 0.60
SCN9A Q15858 1/20 0.59
TACR1 P25103 2/20 0.59
MAPT P10636 2/20 0.58
TP53 P04637 1/20 0.58
ITGB2 P05107 1/20 0.57
ICAM1 P05362 1/20 0.57
ITGAL P20701 1/20 0.57
SSTR3 P32745 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ECE1 P42892 3/20 0.55

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
SCHEMBL5253098 1.00 ACE (0.70) ACECTSLCTSSCTSKALOX15
SCHEMBL5253093 1.00 ACE (0.70) ACECTSLCTSSCTSKALOX15
SCHEMBL5246171 0.91 TACR1 (0.66) ACECTSLCTSSCTSKTACR1
SCHEMBL16383333 0.91 TACR1 (0.66) ACECTSLCTSSCTSKTACR1
SCHEMBL5246183 0.91 TACR1 (0.66) ACECTSLCTSSCTSKTACR1
SCHEMBL30976323 0.90 ACE (0.77) ACECTSLCTSSCTSKALOX15
SCHEMBL1003555 0.90 ACE (0.77) ACECTSLCTSSCTSKALOX15
SCHEMBL850438 0.90 ACE (0.77) ACECTSLCTSSCTSKALOX15
SCHEMBL29367687 0.90 ACE (0.77) ACECTSLCTSSCTSKALOX15
SCHEMBL1486167 0.90 ACE (0.77) ACECTSLCTSSCTSKALOX15

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-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto EMORY UNIVERSITY (US) 2012-05-03 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-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 ACE 679/4885CTSL 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.