SCHEMBL318637

SCHEMBL318637

O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)Oc2cc(F)c(F)c(F)c2F)N1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.61
▸ MEN1 O00255 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ IDE P14735 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RIN1 Q13671 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HLCS P50747 6/20 0.50
▸ HPSE Q9Y251 1/20 0.48
▸ CA12 O43570 6/20 0.47
▸ CA1 P00915 6/20 0.47
▸ CA2 P00918 6/20 0.47
▸ CA9 Q16790 6/20 0.47

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
Biotin SCHEMBL4360688 0.96 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL3870139 0.88 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL10002269 0.88 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL13888577 0.88 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL1727527 0.88 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL318962 0.87 TDP1 (0.53) TDP1MEN1ABL1LMNAPKM
SCHEMBL5903549 0.86 TDP1 (0.48) TDP1MEN1ABL1LMNAPKM
SCHEMBL14165464 0.85 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL140972 0.85 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL31224941 0.85 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684810-B1 Polybiotin compounds for magnetic resonance imaging and drug delivery GEN HOSPITAL CORP (US) 2013-09-25 — — EP disclosed
WO-2012034613-A3 REFRIGERATOR RED BULL GMBH (AT) 2012-05-10 — — WO disclosed
US-8092782-B2 Polybiotin compounds of magnetic resonance imaging and drug delivery THE GENERAL HOSPITAL CORPORATION (US) 2012-01-10 — — US disclosed
EP-1329513-B1 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIV WASHINGTON (US) 2011-12-07 — — EP disclosed
US-7544518-B2 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON (US) 2009-06-09 — — US disclosed
EP-1684810-A4 POLYBIOTIN COMPOUNDS FOR MAGNETIC RESONANCE IMAGINING AND DRUG DELIVERY GEN HOSPITAL CORP (US) 2009-05-27 — — EP disclosed
US-20090010845-A1 Polybiotin Compounds of Magnetic Resonance Imaging and Drug Delivery THE GENERAL HOSPITAL CORPORATION (US) 2009-01-08 — — US disclosed
US-7438893-B2 Polybiotin compounds for magnetic resonance imaging and drug delivery MASSACHUSETTS GENERAL HOSPITAL (US) 2008-10-21 — — US disclosed
US-7141676-B1 Water soluble multi-biotin-containing compounds UNIVERSITY OF WASHINGTON (US) 2006-11-28 — — US disclosed
US-20060228325-A1 Water soluble multi-biotin-containing compounds WILBUR D S 2006-10-12 — — US disclosed
EP-1329513-A1 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON (US) 2003-07-23 — — EP disclosed
US-20030087322-A9 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON 2003-05-08 — — US disclosed
US-20020076739-A1 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON 2002-06-20 — — US disclosed
EP-1196199-A4 WATER SOLUBLE MULTI-BIOTIN-CONTAINING COMPOUNDS UNIV WASHINGTON (US) 2002-06-19 — — EP disclosed
EP-1196199-A2 WATER SOLUBLE MULTI-BIOTIN-CONTAINING COMPOUNDS University of Washington (US) 2002-04-17 — — EP disclosed
EP-1105517-A4 RAPID QUANTITATIVE ANALYSIS OF PROTEINS OR PROTEIN FUNCTION IN COMPLEX MIXTURES UNIV WASHINGTON (US) 2001-09-19 — — EP disclosed
EP-1105517-A1 RAPID QUANTITATIVE ANALYSIS OF PROTEINS OR PROTEIN FUNCTION IN COMPLEX MIXTURES UNIVERSITY OF WASHINGTON (US) 2001-06-13 — — EP disclosed
WO-2000072802-A2 WATER SOLUBLE MULTI-BIOTIN-CONTAINING COMPOUNDS UNIVERSITY OF WASHINGTON (US) 2000-12-07 — — WO disclosed
WO-2000011208-A1 RAPID QUANTITATIVE ANALYSIS OF PROTEINS OR PROTEIN FUNCTION IN COMPLEX MIXTURES UNIVERSITY OF WASHINGTON (US) 2000-03-02 — — WO disclosed
WO-1997029114-A1 BIOTIN-CONTAINING COMPOUNDS, BIOTINYLATION REAGENTS AND METHODS BOARD OF REGENTS OF THE UNIVERSITY OF WASHINGTON (US) 1997-08-14 — — 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 (4 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-20020076739-A1 Rapid quantitative analysis of proteins or protein function in complex mixtures PRTN3, RPS27A, PA2G4 TDP1 4040/4885MEN1 2976/4885ABL1 3933/4885
US-20060228325-A1 Water soluble multi-biotin-containing compounds BTD, HLCS, VNN1 TDP1 2706/4885MEN1 3462/4885ABL1 4752/4885
US-20090010845-A1 Polybiotin Compounds of Magnetic Resonance Imaging and Drug Delivery BTD, BCAT1, BRD4 TDP1 3576/4885MEN1 336/4885ABL1 1751/4885
US-20030087322-A9 Rapid quantitative analysis of proteins or protein function in complex mixtures PRTN3, RPS27A, PA2G4 TDP1 4040/4885MEN1 2976/4885ABL1 3933/4885

“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.

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