SCHEMBL6002782

SCHEMBL6002782

CCOC(=O)c1csc(-c2c(-c3ccc(F)cc3)noc2C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP1 P03956 1/20 0.48
MMP13 P45452 1/20 0.48
NPC1 O15118 5/20 0.48
CLK1 P49759 1/20 0.48
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
PKM P14618 2/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL4719075 0.88 MMP13 (0.47) RAB9AGAAALDH1A1KDM4EHPGD
SCHEMBL4762794 0.85 ALDH1A1 (0.51) ALDH1A1PTGS2
SCHEMBL31163885 0.83 RAB9A (0.69) RAB9AGAAALDH1A1KDM4EHPGD
SCHEMBL4762962 0.82 TP53 (0.48) RAB9AGAAALDH1A1KDM4EHPGD
SCHEMBL4762959 0.82 GABRA5 (0.48) RAB9AGAAALDH1A1KDM4EHPGD
Isopropylamine SCHEMBL4791624 0.81 PTGS2 (0.48) GAAALDH1A1KDM4EHPGDLMNA
SCHEMBL4760800 0.81 KDM4E (0.49) RAB9AGAAALDH1A1KDM4EHPGD
SCHEMBL4762149 0.80 RAB9A (0.51) RAB9AGAAALDH1A1KDM4EHPGD
SCHEMBL4721385 0.79 TRPM8 (0.46) RAB9AGAAALDH1A1KDM4EHPGD
SCHEMBL4762848 0.79 RAB9A (0.53) RAB9AGAAALDH1A1KDM4EHPGD

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 RAB9A 883/4885GAA 1965/4885ALDH1A1 4346/4885

“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.