SCHEMBL12735634

SCHEMBL12735634

CCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.69
▸ HLCS P50747 3/20 0.66
▸ PKM P14618 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ ABL1 P00519 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ IDE P14735 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ RIN1 Q13671 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ CA12 O43570 3/20 0.63
▸ CA1 P00915 3/20 0.63
▸ CA2 P00918 3/20 0.63
▸ CA9 Q16790 3/20 0.63
▸ F2 P00734 1/20 0.62
▸ PRSS1 P07477 1/20 0.62
▸ PRSS2 P07478 1/20 0.62
▸ PRSS3 P35030 1/20 0.62
▸ TPSAB1 Q15661 1/20 0.62

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
SCHEMBL10036929 1.00 TDP1 (0.69) TDP1HLCSPKMMEN1ABL1
SCHEMBL24179756 1.00 TDP1 (0.69) TDP1HLCSPKMMEN1ABL1
SCHEMBL22560803 1.00 TDP1 (0.69) TDP1HLCSPKMMEN1ABL1
SCHEMBL26551954 1.00 TDP1 (0.69) TDP1HLCSPKMMEN1ABL1
SCHEMBL10063351 1.00 TDP1 (0.69) TDP1HLCSPKMMEN1ABL1
SCHEMBL17881931 0.97 TDP1 (0.71) TDP1HLCSPKMMEN1ABL1
SCHEMBL16923825 0.97 TDP1 (0.71) TDP1HLCSPKMMEN1ABL1
SCHEMBL13166618 0.96 TDP1 (0.64) TDP1HLCSPKMMEN1ABL1
SCHEMBL17128734 0.94 TDP1 (0.67) TDP1HLCSPKMMEN1ABL1
SCHEMBL12085208 0.94 TDP1 (0.70) TDP1HLCSPKMMEN1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11660290-B2 Affinity based drug release formulations MCMASTER UNIVERSITY (CA) 2023-05-30 — — US disclosed
WO-2023018743-A1 PH-RESPONSIVE NANOPARTICLE FOR DELIVERY OF RIBONUCLEOPROTEINS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-02-16 — — WO disclosed
WO-2020246602-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE 大塚製薬株式会社 2020-12-10 — — WO disclosed
US-10787465-B2 Lanthanide toolbox for organelle specific molecular imaging with multi-color NEW LIFE MEDICINE TECHNOLOGY COMPANY LIMITED (CN) 2020-09-29 — — US disclosed
US-20170368033-A1 AFFINITY BASED DRUG RELEASE FORMULATIONS MCMASTER UNIVERSITY (CA) 2017-12-28 — — US disclosed
WO-2017060729-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2017-04-13 — — WO disclosed
US-9290421-B2 Hypervalent radioactive astatine or iodine compounds, and preparation methods thereof Institut National de la Santé de la Recherche Medicalé (FR) 2016-03-22 — — US disclosed
US-7932213-B2 Solid phase synthesis with benzylidene linker attaching compound on glass slide; microarrays; drug screening PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-04-26 — — US disclosed
US-20070161007-A1 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-12 — — US disclosed
US-20070161007-A1 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-12 — — 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 (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-20170368033-A1 AFFINITY BASED DRUG RELEASE FORMULATIONS ABCG2, ABCB1, ABCB11 TDP1 2465/4885HLCS 317/4885PKM 3166/4885
US-10787465-B2 Lanthanide toolbox for organelle specific molecular imaging with multi-color DYNC1LI2, DYNLL2, DYNLL1 TDP1 2091/4885HLCS 408/4885PKM 2960/4885
US-11660290-B2 Affinity based drug release formulations ABCG2, ABCB1, ABCB11 TDP1 2465/4885HLCS 317/4885PKM 3166/4885
US-20070161007-A1 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use DNMT1, MAT2A, MAT1A TDP1 931/4885HLCS 689/4885PKM 1131/4885

“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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