SCHEMBL4890499

SCHEMBL4890499

CC(C)(C)OC(=O)NCC(Cc1nc(-c2ccccc2)no1)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
S1PR1 P21453 1/20 0.43
TSHR P16473 2/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL4888769 0.90 S1PR1 (0.38) ALDH1A1GAAS1PR1TSHRCTSS
SCHEMBL4880805 0.90 MAPT (0.42) MAPTLMNAKMT2A
SCHEMBL4888552 0.90 CA2 (0.39) S1PR1
SCHEMBL4886294 0.87 NPC1 (0.45) ALDH1A1GAATSHRMAPTHPGD
SCHEMBL4890495 0.79 CTSS (0.52) ALDH1A1GAAS1PR1TSHRCTSS
SCHEMBL14846086 0.76 CYP1A2 (0.58) ALDH1A1GAAS1PR1TSHRHPGD
SCHEMBL4887744 0.75 NOTUM (0.51) ALDH1A1S1PR1TSHRMAPTLMNA
SCHEMBL1610079 0.74 TSHR (0.51) ALDH1A1GAAS1PR1TSHRHPGD
SCHEMBL14736015 0.72 PDE10A (0.52) ALDH1A1GAATSHRMAPTHPGD
SCHEMBL6802722 0.72 TACR1 (0.47) TSHRCTSSCTSKMAPTHCAR2

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-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-03-13 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-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors DPP4, DPP7, DPP3 ALDH1A1 1003/4885GAA 1086/4885S1PR1 1248/4885

“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.