Sugi Predict

Sugi Predict / Compounds / SCHEMBL6731989

SCHEMBL6731989

SCHEMBL6731989

O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2ccc(F)cc2n1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.62
▸ CCNE2 O96020 2/20 0.47
▸ CDK4 P11802 2/20 0.47
▸ CCND1 P24385 2/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ PRKACA P17612 1/20 0.44
▸ PRKACG P22612 1/20 0.44
▸ PRKACB P22694 1/20 0.44
▸ PRKD3 O94806 2/20 0.42
▸ PRKCG P05129 2/20 0.42
▸ PRKCB P05771 2/20 0.42
▸ PRKCA P17252 2/20 0.42
▸ PRKCH P24723 2/20 0.42
▸ PRKCI P41743 2/20 0.42
▸ PRKCE Q02156 2/20 0.42
▸ PRKCQ Q04759 2/20 0.42
▸ PRKCZ Q05513 2/20 0.42
▸ PRKCD Q05655 2/20 0.42
▸ PRKD1 Q15139 2/20 0.42

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
SCHEMBL5870514 0.84 TOP1 (0.61) TOP1PRKCA
SCHEMBL6724824 0.84 TOP1 (0.61) TOP1PRKCA
SCHEMBL7862013 0.80 TOP1 (0.43) TOP1PRKD3PRKCGPRKCBPRKCA
SCHEMBL8192076 0.79 TOP1 (0.52) TOP1CCNE2CDK4CCND1CCNE1
SCHEMBL6739046 0.79 TOP1 (0.87) TOP1PRKD3PRKCGPRKCBPRKCA
SCHEMBL5870061 0.78 TOP1 (0.58) TOP1CCNE2CDK4CCND1CCNE1
SCHEMBL14422853 0.77 CDK4 (0.42) TOP1CCNE2CDK4CCND1CCNE1
SCHEMBL7861913 0.77 TOP1 (0.65) TOP1PRKCA
SCHEMBL6738483 0.77 TOP1 (0.70) TOP1CCNE2CDK4CCND1CCNE1
SCHEMBL6739949 0.77 TOP1 (0.70) TOP1CCNE2CDK4CCND1CCNE1

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-6677450-B2 N12, N13-BRIDGED SUGAR DERIVATIVES OF INDOLYLOPYRROLOCARBAZOLES, USEFUL IN INHIBITING THE PROLIFERATION OF TUMOR CELLS BRISTOL-MYERS SQUIBB COMPANY 2004-01-13 — — US disclosed
EP-1326874-A2 TOPOISOMERASE INHIBITORS Bristol-Myers Squibb Company (US) 2003-07-16 — — EP disclosed
US-20020107237-A1 Topoisomerase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-08-08 — — US disclosed
WO-2002030941-A2 TOPOISOMERASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-18 — — WO disclosed
EP-0971717-A4 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL MYERS SQUIBB CO (US) 2000-04-12 — — EP disclosed
EP-0971717-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES Bristol-Myers Squibb Company (US) 2000-01-19 — — EP disclosed
WO-1998007433-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-26 — — 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-20020107237-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B TOP1 1/4885CCNE2 52/4885CDK4 119/4885

“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.