SCHEMBL10036929

SCHEMBL10036929

CCCNC(=O)CCCCC1SCC2NC(=O)NC21

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
SCHEMBL24179756 1.00 TDP1 (0.69) TDP1HLCSPKMMEN1ABL1
SCHEMBL12735634 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023233024-A1 DPP9 BINDING COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2023-12-07 — — WO disclosed
WO-2019170710-A2 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONOTHIOLATES AND -PHOSPHONATES FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 — — WO disclosed
WO-2019164977-A1 FLUORINATED NUCLEOTIDES AND USES THEREOF Singular Genomics Systems, Inc. (US) 2019-08-29 — — WO disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 — — US disclosed
US-9493444-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2016-11-15 — — US disclosed
WO-2015163952-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2015-10-29 — — WO disclosed
US-20150005294-A1 AZAHETEROCYCLIC COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-01-01 — — US disclosed
US-20120226050-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-06 — — US disclosed
US-8207353-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2012-06-26 — — US disclosed
US-8207353-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2012-06-26 — — US disclosed
US-20090110662-A1 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-30 — — US disclosed
US-20090110662-A1 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-30 — — US disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 — — US disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 — — US disclosed
US-20080035243-A1 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES (US) 2008-02-14 — — US disclosed
US-20080035243-A1 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES (US) 2008-02-14 — — US disclosed
WO-2008006097-A2 COVALENT MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES LLC (US) 2008-01-10 — — WO disclosed
WO-2007127473-A2 POLY (ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2007-11-08 — — WO disclosed
US-20070054304-A1 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES INVITROGEN CORPORATION (US) 2007-03-08 — — US disclosed
US-20070054304-A1 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES INVITROGEN CORPORATION (US) 2007-03-08 — — 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 (6 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-20080035243-A1 Covalent modification of metal surfaces ITGAL, ITGA1, ITGA5 TDP1 2772/4885HLCS 141/4885PKM 3084/4885
US-20090110662-A1 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER CD44, CD47, EPCAM TDP1 3929/4885HLCS 188/4885PKM 1484/4885
US-20150005294-A1 AZAHETEROCYCLIC COMPOUNDS PCNA, CDKN1A, CCNC TDP1 1163/4885HLCS 1165/4885PKM 4031/4885
US-20120226050-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 TDP1 1487/4885HLCS 119/4885PKM 3080/4885
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups GNE, EPRS1, ALG1 TDP1 1487/4885HLCS 119/4885PKM 3080/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 TDP1 4223/4885HLCS 1229/4885PKM 1929/4885

“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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