SCHEMBL6461059

SCHEMBL6461059

CC1(C)CS[C@@H](C(=O)N([C@@H](Cc2ccc(OC(=O)N3CCN(c4ccccn4)CC3)c(Cl)c2)C(=O)OC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.35
P2RX7 Q99572 2/20 0.35
ALDH1A1 P00352 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
KDM4E B2RXH2 7/20 0.34
GPR119 Q8TDV5 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 4/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL6450077 0.93 MEN1 (0.36) ADRB2P2RX7ALDH1A1PDK1PDK2
SCHEMBL3851010 0.93 ADRB2 (0.37) ADRB2P2RX7ALDH1A1KDM4EMEN1
SCHEMBL3849651 0.90 P2RX7 (0.33) P2RX7
SCHEMBL3851103 0.88 P2RX7 (0.32) P2RX7
SCHEMBL3855173 0.86 P2RX7 (0.39) ADRB2P2RX7ALDH1A1KDM4EGPR119
SCHEMBL3850149 0.86 HSD17B10 (0.42) ADRB2P2RX7ALDH1A1KDM4EGPR119
SCHEMBL6708267 0.84 HSD11B1 (0.30)
SCHEMBL4956662 0.83
SCHEMBL8059187 0.83 ALDH1A1 (0.35) ADRB2P2RX7ALDH1A1KDM4EMEN1
SCHEMBL3849517 0.82 KDM4E (0.34) ADRB2P2RX7ALDH1A1KDM4EMEN1

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-20050074451-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050074451-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 ADRB2 1567/4885P2RX7 1115/4885ALDH1A1 445/4885

“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.