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Sugi Predict / Compounds / SCHEMBL5538308

SCHEMBL5538308

SCHEMBL5538308

O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCS(=O)(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.51
▸ CYP2C9 P11712 1/20 0.49
▸ CALCA P06881 6/20 0.49
▸ ERCC1 P07992 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ ERCC4 Q92889 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KCNE1 P15382 1/20 0.42
▸ CCR1 P32246 1/20 0.42
▸ KCNQ1 P51787 1/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL14567056 0.83 KCNH2 (0.52) KCNH2CYP2C9CALCAERCC1FEN1
SCHEMBL12777977 0.83 LMNA (0.46) KCNH2CALCASMN1; SMN2GAANPSR1
SCHEMBL5537432 0.82 KCNH2 (0.51) KCNH2CYP2C9CALCAERCC1FEN1
SCHEMBL12775341 0.81 KCNH2 (0.50) KCNH2CYP2C9CALCAERCC1FEN1
SCHEMBL5643186 0.79 KCNH2 (0.50) KCNH2CYP2C9CALCAERCC1FEN1
SCHEMBL12775353 0.79 KCNH2 (0.53) KCNH2CYP2C9CALCAERCC1FEN1
SCHEMBL12775371 0.79 KCNH2 (0.51) KCNH2CYP2C9CALCAERCC1FEN1
SCHEMBL12775347 0.78 KCNH2 (0.59) KCNH2CYP2C9CALCAERCC1FEN1
SCHEMBL12775392 0.78 KCNH2 (0.51) KCNH2CYP2C9CALCAERCC1FEN1
SCHEMBL12775432 0.77 KCNH2 (0.53) KCNH2CYP2C9CALCAERCC1FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753767-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-21 — — EP claimed
WO-2005118589-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 — — WO claimed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 — — US claimed
US-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 — — US disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 — — US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 — — US disclosed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 — — 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 (2 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-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C KCNH2 3080/4885CYP2C9 237/4885CALCA 2673/4885
US-20070111985-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 KCNH2 3129/4885CYP2C9 662/4885CALCA 2607/4885

“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.