SCHEMBL4896098

SCHEMBL4896098

CC(C)(C)N(C(=O)O)[C@@H](CC(=O)Nc1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O)Cc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 5/20 0.40
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 4/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 4/20 0.36
POLB P06746 1/20 0.35
HMGCR P04035 1/20 0.35
RUVBL1 Q9Y265 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8273828 0.82 DPP4 (0.44) PADI4ALDH1A1HSD17B10HPGDLMNA
Hydrochloric Acid SCHEMBL4893749 0.81 DPP4 (0.44) PADI4ALDH1A1HSD17B10HPGDLMNA
Hydrochloric Acid SCHEMBL27694404 0.81 DPP4 (0.44) PADI4ALDH1A1HSD17B10HPGDLMNA
SCHEMBL14280849 0.80 CTSS (0.40) PADI4ALDH1A1HSD17B10HPGDLMNA
SCHEMBL4890711 0.78 KDM4E (0.41) ALDH1A1HSD17B10HPGDLMNARAB9A
SCHEMBL14315935 0.75 ALDH1A1 (0.48) PADI4ALDH1A1HSD17B10HPGDLMNA
SCHEMBL4895208 0.71 KDM4E (0.61) PADI4ALDH1A1HSD17B10MAPK14KDM4E
SCHEMBL4897701 0.66 SCN9A (0.39)
SCHEMBL4489140 0.65 DPP4 (0.41)
SCHEMBL4897316 0.65 PYGL (0.39)

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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 PADI4 146/4885ALDH1A1 418/4885HSD17B10 151/4885

“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.