SCHEMBL4890711

SCHEMBL4890711

CC(C)(C)N(C(=O)O)[C@@H](CC(=O)Nc1cc2ccccc2[nH]c1=O)Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.41
TSHR P16473 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 8/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GUSB P08236 1/20 0.35
RAB9A P51151 1/20 0.34
PARP14 Q460N5 1/20 0.33
ALOX15 P16050 1/20 0.33
SMYD3 Q9H7B4 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
SCHEMBL8274760 0.80 DPP4 (0.45) LMNA
Hydrochloric Acid SCHEMBL4895101 0.79 DPP4 (0.44) LMNA
SCHEMBL4896098 0.78 PADI4 (0.40) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8274767 0.78 CTSS (0.44) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL27675971 0.72 LMNA (0.41) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL4897316 0.68 PYGL (0.39)
SCHEMBL4897701 0.68 SCN9A (0.39)
SCHEMBL4887286 0.67 RIPK1 (0.37)
SCHEMBL4891375 0.67 SLC1A2 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5475933 0.67 ALDH1A1 (0.56) KDM4ETSHRHSD17B10ALDH1A1HPGD

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 KDM4E 94/4885TSHR 477/4885HSD17B10 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.