SCHEMBL318962

SCHEMBL318962

CC(CC(=O)Oc1cc(F)c(F)c(F)c1F)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.53
▸ CNR1 P21554 2/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ IDE P14735 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RIN1 Q13671 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CA12 O43570 6/20 0.45
▸ CA1 P00915 6/20 0.45
▸ CA2 P00918 6/20 0.45
▸ CA9 Q16790 6/20 0.45
▸ F2 P00734 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ TPSAB1 Q15661 1/20 0.45

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
SCHEMBL10088098 0.90 TDP1 (0.59) TDP1CNR1MEN1ABL1LMNA
SCHEMBL318637 0.87 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL4360688 0.83 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL319055 0.80 TDP1 (0.67) TDP1CNR1MEN1ABL1LMNA
SCHEMBL5903549 0.78 TDP1 (0.48) TDP1MEN1ABL1LMNAPKM
SCHEMBL10002269 0.77 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL13888577 0.77 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL1727527 0.77 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL12724896 0.77 TDP1 (0.68) TDP1CNR1MEN1ABL1LMNA
SCHEMBL19901346 0.77 TDP1 (0.68) TDP1CNR1MEN1ABL1LMNA

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 8 patents. 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
US-8092782-B2 Polybiotin compounds of magnetic resonance imaging and drug delivery THE GENERAL HOSPITAL CORPORATION (US) 2012-01-10 — — 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
EP-1684810-A1 POLYBIOTIN COMPOUNDS FOR MAGNETIC RESONANCE IMAGINING AND DRUG DELIVERY THE GENERAL HOSPITAL CORPORATION (US) 2006-08-02 — — EP disclosed
US-20050136008-A1 Polybiotin compounds for magnetic resonance imaging and drug delivery MASSACHUSETTS GENERAL HOSPITAL (US) 2005-06-23 — — US disclosed
WO-2005032598-A1 POLYBIOTIN COMPOUNDS FOR MAGNETIC RESONANCE IMAGINING AND DRUG DELIVERY THE GENERAL HOSPITAL CORPORATION (US) 2005-04-14 — — 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 (2 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-20050136008-A1 Polybiotin compounds for magnetic resonance imaging and drug delivery BTD, BCAT1, BRD4 TDP1 3602/4885CNR1 2063/4885MEN1 333/4885
US-20090010845-A1 Polybiotin Compounds of Magnetic Resonance Imaging and Drug Delivery BTD, BCAT1, BRD4 TDP1 3576/4885CNR1 2024/4885MEN1 336/4885

“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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