Sugi Predict

Sugi Predict / Compounds / SCHEMBL5870241

SCHEMBL5870241

SCHEMBL5870241

O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](COI)C[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 14/20 0.51
▸ CDK4 P11802 4/20 0.37
▸ CCND1 P24385 4/20 0.37
▸ CCNE2 O96020 3/20 0.35
▸ CCNE1 P24864 3/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ PRKACA P17612 2/20 0.35
▸ PRKACG P22612 2/20 0.35
▸ PRKACB P22694 2/20 0.35
▸ PRKCQ Q04759 1/20 0.34
▸ SSTR1 P30872 1/20 0.34
▸ SSTR2 P30874 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ SSTR5 P35346 1/20 0.34

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
SCHEMBL7024637 0.94 TOP1 (0.51) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL5869927 0.92 TOP1 (0.55) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL5870061 0.89 TOP1 (0.58) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL5870245 0.88 TOP1 (0.51) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL7031130 0.88 TOP1 (0.54) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL6736290 0.85 TOP1 (0.57) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL7024184 0.84 TOP1 (0.45) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL7027394 0.84 TOP1 (0.45) TOP1CDK4CCND1CCNE2CCNE1
SCHEMBL7861913 0.83 TOP1 (0.65) TOP1
SCHEMBL6317675 0.83 TOP1 (0.54) TOP1CDK4CCND1CCNE2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138377-B2 Topoisomerase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 — — US disclosed
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
US-6653290-B2 Sugar derivatives of indolocarbazoles; exhibit topoisomerase-I activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-25 — — US disclosed
US-20030203860-A1 Substituted sugar derivatives of indolopyrrolocarbazoles, useful in inhibiting the proliferatin of tumor cells BRISTOL-MYERS SQUIBB COMPANY 2003-10-30 — — US disclosed
US-20020107237-A1 Topoisomerase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-08-08 — — US disclosed
US-20020068705-A1 Tumor proliferation inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-06-06 — — 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 (3 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-20020068705-A1 Tumor proliferation inhibitors MKI67, TOP1, CCNI TOP1 2/4885CDK4 19/4885CCND1 27/4885
US-20030203860-A1 Substituted sugar derivatives of indolopyrrolocarbazoles, useful in inhibiting the proliferatin of tumor cells TYMP, MKI67, CCNI TOP1 5/4885CDK4 7/4885CCND1 80/4885
US-20020107237-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B TOP1 1/4885CDK4 119/4885CCND1 20/4885

“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.