SCHEMBL9979905

SCHEMBL9979905

NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.67
PRSS2 P07478 2/20 0.67
PRSS3 P35030 2/20 0.67
TPSAB1 Q15661 2/20 0.67
F2 P00734 1/20 0.67
FOLH1 Q04609 5/20 0.65
PKM P14618 3/20 0.65
TDP1 Q9NUW8 5/20 0.62
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
PLG P00747 1/20 0.57
HSP90AB1 P08238 1/20 0.56
MEN1 O00255 1/20 0.56
ABL1 P00519 1/20 0.56
LMNA P02545 1/20 0.56
IDE P14735 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL31135780 1.00 PRSS1 (0.67) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL24425712 1.00 PRSS1 (0.67) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL19917580 0.97 PRSS1 (0.63) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL4922024 0.95 TDP1 (0.64) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL19751698 0.94 F2 (0.73) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL15216220 0.94 F2 (0.73) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL19017236 0.94 F2 (0.73) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL4968230 0.94 F2 (0.73) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL15832044 0.93 PKM (0.69) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL21531148 0.91 FOLH1 (0.67) PRSS1PRSS2PRSS3TPSAB1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase CORVUS PHARMACEUTICALS, INC. (US) 2024-02-13 US disclosed
EP-2535423-B1 Labeling and detection of nucleic acids LIFE TECHNOLOGIES CORP (US) 2019-05-15 EP disclosed
EP-2623986-B1 Labeling and detection of post translationally modified proteins LIFE TECHNOLOGIES CORP (US) 2017-06-14 EP disclosed
US-8957056-B2 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTIUTE FOR CANCER RESEARCH (US) 2015-02-17 US disclosed
US-8835693-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-09-16 US disclosed
US-20140011844-A1 MIGRASTATIN ANALOGS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-01-09 US disclosed
US-8324284-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-12-04 US disclosed
US-8202911-B2 Migrastatin analog compositions and uses thereof CORNELL RESEARCH FOUNDATION, INC. (US) 2012-06-19 US disclosed
US-20110263653-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-27 US disclosed
US-7943800-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-05-17 US disclosed
WO-2011006143-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-01-13 WO disclosed
US-20090124662-A1 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2009-05-14 US disclosed
US-20070037852-A1 Migrastatin analogs and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-15 US disclosed
US-20070037783-A1 Migrastatin analogs and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-15 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-20070037783-A1 Migrastatin analogs and uses thereof FOXM1, MTX1, C3AR1 PRSS1 1602/4885PRSS2 1692/4885PRSS3 1948/4885
US-20090124662-A1 Migrastatin analogs in the treatment of cancer MTX1, MTNR1B, MTNR1A PRSS1 767/4885PRSS2 880/4885PRSS3 1119/4885
US-20110263653-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF C3AR1, C1R, MRPS18A PRSS1 1954/4885PRSS2 2018/4885PRSS3 2142/4885
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase IL2, NFATC1, IL2RA PRSS1 3218/4885PRSS2 2869/4885PRSS3 4319/4885
US-20070037852-A1 Migrastatin analogs and uses thereof KDR, MTX1, FOXM1 PRSS1 1384/4885PRSS2 2369/4885PRSS3 2526/4885
US-20140011844-A1 MIGRASTATIN ANALOGS AND USES THEREOF KDR, HMGCR, LPAR3 PRSS1 1523/4885PRSS2 2446/4885PRSS3 2602/4885

“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.