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Sugi Predict / Compounds / SCHEMBL6651360

SCHEMBL6651360

SCHEMBL6651360

COC(=O)c1cnc2c(OCc3ccccc3)cc(NC(=O)OC(C)(C)C)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ TOP2A P11388 1/20 0.42
▸ TOP2B Q02880 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ PSMD14 O00487 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL6649542 0.86 CYP2C9 (0.43) LMNACYP2C9PTGER1TOP2ATOP2B
SCHEMBL5865089 0.83 HSP90AA1 (0.46) PPIACYP2C9PTGER1TOP2ATOP2B
SCHEMBL6627247 0.80 PPIA (0.41) PPIALMNAHPGDCYP2C9PTGER1
SCHEMBL7846193 0.78 NPC1 (0.41) PPIALMNAHPGDCYP2C9PTGER1
SCHEMBL13007025 0.78 TOP2A (0.50) CYP2C9PTGER1TOP2ATOP2BMAPT
SCHEMBL12579437 0.77 SMN1; SMN2 (0.52) PPIALMNAHPGDNPC1RAB9A
SCHEMBL23970799 0.76 CYP2C9 (0.50) PPIACYP2C9PTGER1TOP2ATOP2B
SCHEMBL30159014 0.76 CYP2C9 (0.50) PPIACYP2C9PTGER1TOP2ATOP2B
SCHEMBL5235275 0.76 BCHE (0.50) LMNAHPGDCYP2C9PTGER1MAPT
SCHEMBL8321616 0.75 SMN1; SMN2 (0.47) HPGDTOP2ATOP2BMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037865-A4 SYNTHESIS OF CC-1065/DUOCARMYCIN ANALOGS SCRIPPS RESEARCH INST (US) 2004-03-31 — — EP disclosed
US-20020082424-A1 Synthesis of CC-1065/duocarmycin analogs THE SCRIPPS RESEARCH INSTITUTE 2002-06-27 — — US disclosed
US-6310209-B1 INTERMEDIATES INVOLVED IN THE 5-EXO-TRIG RADICAL CYCLIZATION OF AN ARYL HALIDE ONTO A TETHERED VINYL CHLORIDE FORMING THE DIHYDROINDOLE C-RING WITH CHLORINE INSTALLED AS A SUITABLE LEAVING GROUP FOR SUBSEQUENT CYCLOPROPANE SPIROCYCLIZATION. THE SCRIPPS RESEARCH INSTITUTE 2001-10-30 — — US disclosed
EP-1037865-A1 SYNTHESIS OF CC-1065/DUOCARMYCIN ANALOGS The Scripps Research Institute (US) 2000-09-27 — — EP disclosed
WO-1999029642-A1 SYNTHESIS OF CC-1065/DUOCARMYCIN ANALOGS THE SCRIPPS RESEARCH INSTITUTE (US) 1999-06-17 — — 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-20020082424-A1 Synthesis of CC-1065/duocarmycin analogs CBR3, C2CD5, SIRT5 PPIA 2197/4885LMNA 2785/4885HPGD 1985/4885

“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.