Sugi Predict

Sugi Predict / Compounds / SCHEMBL2080375

SCHEMBL2080375

SCHEMBL2080375

O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCOC21CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.42
▸ KCNH2 Q12809 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ RORC P51449 2/20 0.37
▸ CALCA P06881 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ ATXN2 Q99700 1/20 0.36
▸ KCNE1 P15382 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
SCHEMBL5580069 0.96 CYP2C9 (0.45) CYP2C9KCNH2NPSR1MEN1KMT2A
SCHEMBL2081533 0.95 KCNH2 (0.41) CYP2C9KCNH2NPSR1MEN1KMT2A
SCHEMBL2082776 0.91 CYP2C9 (0.46) CYP2C9KCNH2SMN1; SMN2L3MBTL1LMNA
SCHEMBL2079269 0.89 CYP2C9 (0.47) CYP2C9KCNH2NPSR1MEN1KMT2A
SCHEMBL12777252 0.88 NPSR1 (0.41) CYP2C9KCNH2NPSR1MEN1KMT2A
SCHEMBL2080751 0.88 CYP2C9 (0.44) CYP2C9KCNH2NPSR1SMN1; SMN2L3MBTL1
SCHEMBL2080832 0.87 KCNH2 (0.46) CYP2C9KCNH2NPSR1MEN1KMT2A
SCHEMBL5580009 0.85 CYP2C9 (0.46) CYP2C9KCNH2NPSR1SMN1; SMN2L3MBTL1
SCHEMBL12777053 0.85 KCNH2 (0.41) CYP2C9KCNH2NPSR1MEN1KMT2A
SCHEMBL2081100 0.85 CYP2C9 (0.50) CYP2C9KCNH2NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 — — US claimed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 — — US claimed
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 — — US disclosed
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 — — US disclosed
WO-2007143446-A1 SPIRO-CONDENSED HETEROTRICYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-13 — — WO disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 — — US disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 — — 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-20070281917-A1 HIV Integrase Inhibitors TYMP, POLN, IMPDH1 CYP2C9 704/4885KCNH2 3170/4885NPSR1 4485/4885

“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.