SCHEMBL6094824

SCHEMBL6094824

CCOC(=O)c1nc(N2CCN(S(C)(=O)=O)CC2)n(C)c(=O)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.41
PRMT5 O14744 1/20 0.40
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
MAPK10 P53779 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6094216 0.86 EGFR (0.39) TSHRALDH1A1LMNANPSR1KDM4E
SCHEMBL6086680 0.86 ALDH1A1 (0.41) TSHRALDH1A1LMNANPSR1KDM4E
SCHEMBL6095402 0.86 ALDH1A1 (0.50) ALDH1A1GAAKDM4EALOX15HTT
SCHEMBL6095057 0.86 DPP4 (0.43) TSHRALDH1A1LMNANPSR1CYP2C19
SCHEMBL5303358 0.85 ALDH1A1 (0.39) TSHRALDH1A1LMNANPSR1KDM4E
SCHEMBL6086561 0.84 TSHR (0.40) TSHRALDH1A1LMNANPSR1GAA
SCHEMBL6087390 0.82 PTPN11 (0.39) TSHRALDH1A1LMNANPSR1GAA
SCHEMBL6093718 0.81 KDM4E (0.42) ALDH1A1LMNANPSR1KDM4EHTT
SCHEMBL6086734 0.81 OPRM1 (0.42) PRMT5TSHRALDH1A1LMNANPSR1
SCHEMBL6088848 0.80 PTPN11 (0.39) TSHRALDH1A1LMNANPSR1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 WO 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 DCTPP1 559/4885PRMT5 491/4885TSHR 4474/4885

“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.