Sugi Predict

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SCHEMBL2525885

SCHEMBL2525885

O=C(O)c1nc2n(c(=O)c1OCc1ccccc1)CCOCC21CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ EGFR P00533 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ CYP11B2 P19099 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NAAA Q02083 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ PRKDC P78527 2/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL2525820 0.89 MTOR (0.42) ALDH1A1KMT2AMEN1NPSR1GAA
SCHEMBL1170503 0.86 ALDH1A1 (0.37) ALDH1A1EGFRMAPTKMT2AMEN1
SCHEMBL2523963 0.85 MAPT (0.42) ALDH1A1MAPTKMT2ANPSR1GAA
SCHEMBL14064647 0.82 ALDH1A1 (0.36) ALDH1A1EGFRMAPTKMT2AMEN1
SCHEMBL1170192 0.80 GRM5 (0.39) ALDH1A1EGFRMAPTGAANAAA
SCHEMBL2531640 0.80 PIK3CB (0.35) MAPTLMNA
SCHEMBL4043227 0.79 GRM5 (0.47) ALDH1A1EGFRMAPTKMT2AMEN1
SCHEMBL5401228 0.79 MMP2 (0.38) NAAATSHRLMNA
SCHEMBL14535444 0.78 LMNA (0.42) ALDH1A1EGFRMAPTKMT2AMEN1
SCHEMBL2528453 0.77 MGAT2 (0.37) KMT2AMEN1NAAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 — — EP disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 — — EP disclosed
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — 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-20070111984-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 ALDH1A1 348/4885EGFR 3910/4885MAPT 3221/4885

“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.