SCHEMBL681487

SCHEMBL681487

C=C[C@H](OC)[C@@H](O)[C@H](C)/C=C(/C)CO

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35

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
SCHEMBL14612677 1.00 TRPA1 (0.35) TRPA1
SCHEMBL12677144 1.00 TRPA1 (0.35) TRPA1
SCHEMBL9976674 1.00 TRPA1 (0.35) TRPA1
SCHEMBL686355 1.00 TRPA1 (0.35) TRPA1
SCHEMBL9070715 0.85
SCHEMBL14650911 0.85
SCHEMBL12676922 0.85
SCHEMBL12989037 0.85
SCHEMBL14650835 0.85
SCHEMBL16062746 0.84 TRPA1 (0.36) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957056-B2 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTIUTE FOR CANCER RESEARCH (US) 2015-02-17 US 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-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-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-8188141-B2 Isomigrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-05-29 US disclosed
US-20110281916-A1 MIGRASTATIN ANALOGS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-11-17 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
US-20090124662-A1 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2009-05-14 US disclosed
US-20090054488-A1 Isomigrastatin Analogs In The Treatment Of Cancer NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-26 US disclosed
US-20070037852-A1 Migrastatin analogs and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-15 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
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 (7 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 TRPA1 843/4885
US-20090054488-A1 Isomigrastatin Analogs In The Treatment Of Cancer EDNRB, KDR, IGF1R TRPA1 3592/4885
US-20090124662-A1 Migrastatin analogs in the treatment of cancer MTX1, MTNR1B, MTNR1A TRPA1 1205/4885
US-20110281916-A1 MIGRASTATIN ANALOGS AND USES THEREOF KDR, HMGCR, LPAR3 TRPA1 1752/4885
US-20110263653-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF C3AR1, C1R, MRPS18A TRPA1 956/4885
US-20070037852-A1 Migrastatin analogs and uses thereof KDR, MTX1, FOXM1 TRPA1 1674/4885
US-20140011844-A1 MIGRASTATIN ANALOGS AND USES THEREOF KDR, HMGCR, LPAR3 TRPA1 1752/4885

“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.