SCHEMBL6004876

SCHEMBL6004876

CC(C)NC(=O)c1csc(-c2oc(CO)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.44
HPGDS O60760 2/20 0.40
GABRA5 P31644 4/20 0.39
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CSNK1D P48730 3/20 0.37
CSNK1E P49674 3/20 0.37
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
SCN9A Q15858 1/20 0.36
NR4A2 P43354 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4762022 0.91 TLR7 (0.43) TLR7HPGDSGABRA5LMNACNR1
SCHEMBL6004597 0.89 TLR7 (0.42) TLR7HPGDSGABRA5LMNACNR1
Isopropylamine SCHEMBL4790748 0.84 ALDH1A1 (0.43) TLR7LMNANR4A2
SCHEMBL6004394 0.84 ENPP2 (0.42) TLR7HPGDSLMNAGAASCN9A
SCHEMBL6003997 0.84 HDAC3 (0.40) TLR7HPGDSGABRA5POLBGAA
SCHEMBL4828522 0.84 CHEK1 (0.40) TLR7SCN9A
SCHEMBL4761813 0.82 RAB9A (0.49) LMNARAB9ANPC1POLBGAA
SCHEMBL4760698 0.80 ACKR3 (0.48)
SCHEMBL4877485 0.79 TGFBR1 (0.51) TLR7HPGDSCNR1RAB9ANPC1
SCHEMBL6003993 0.79 TLR7 (0.39) TLR7HPGDSGABRA5LMNACNR1

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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 TLR7 495/4885HPGDS 332/4885GABRA5 4796/4885

“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.