SCHEMBL4888769

SCHEMBL4888769

CC(C)(C)OC(=O)NCC(Cc1nc(-c2ccc(S(C)(=O)=O)cc2)no1)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL4888552 0.93 CA2 (0.39) S1PR1TP53
SCHEMBL4890499 0.90 ALDH1A1 (0.45) S1PR1TSHRMAPTGAAALDH1A1
SCHEMBL4880805 0.83 MAPT (0.42) TP53MAPTKMT2AMAPK1SMN1; SMN2
SCHEMBL4886294 0.82 NPC1 (0.45) TP53TSHRMAPTGAAALDH1A1
SCHEMBL4888764 0.81 CTSS (0.43) TP53TSHRMAPTKMT2AHDAC4
SCHEMBL4884701 0.80 SMN1; SMN2 (0.41) TP53TSHRMAPTKMT2AHTT
SCHEMBL4888547 0.74 CTSS (0.42) S1PR1TP53TSHRCTSSCTSK
SCHEMBL5178277 0.72 NPSR1 (0.43) TP53TSHRMAPTGAAALDH1A1
SCHEMBL4890495 0.70 CTSS (0.52) S1PR1TSHRMAPTGAAALDH1A1
SCHEMBL8469388 0.70 SCN5A (0.46) TSHRMAPTKMT2AHTTMAPK1

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 2 patents. 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
EP-1623983-A1 Heterocyclic compounds useful as DPP-IV inhibitors Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2006-02-08 EP 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 S1PR1 1248/4885TP53 4584/4885TSHR 185/4885

“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.