SCHEMBL6092467

SCHEMBL6092467

Cc1cccc(CNC(=O)c2nc(N3CCCCS3(O)O)n(C)c(=O)c2O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALCA P06881 8/20 0.49
MAPT P10636 3/20 0.42
THRB P10828 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
MMP13 P45452 1/20 0.40
ADORA2A P29274 2/20 0.40
WDR5 P61964 1/20 0.40
ADORA1 P30542 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6092456 0.91 CALCA (0.58) CALCAMAPTTHRBRXFP1MMP13
SCHEMBL6094840 0.90 CALCA (0.61) CALCATHRBADORA2ATP53SMN1; SMN2
SCHEMBL6094025 0.90 CALCA (0.49) CALCAMAPTTHRBADORA1TP53
SCHEMBL6093561 0.90 CALCA (0.54) CALCATHRBTP53MEN1KMT2A
SCHEMBL6096426 0.89 CALCA (0.45) CALCAMAPTTP53MEN1KMT2A
SCHEMBL6095589 0.89 CALCA (0.47) CALCATHRBRXFP1MMP13TP53
SCHEMBL6093507 0.89 CALCA (0.44) CALCASMN1; SMN2KMT2A
SCHEMBL6093486 0.88 CALCA (0.51) CALCAMEN1KMT2A
SCHEMBL6094829 0.86 CALCA (0.46) CALCASMN1; SMN2
SCHEMBL6094580 0.86 CALCA (0.46) CALCAMMP13

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 4 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 claimed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
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

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 CALCA 4716/4885MAPT 3749/4885THRB 2117/4885

“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.