SCHEMBL1944103

SCHEMBL1944103

C=CCOc1ccc(CC(C(=O)O)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.57
PPARD Q03181 9/20 0.50
PPARG P37231 8/20 0.50
FFAR1 O14842 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
PPARA Q07869 10/20 0.45
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL12537289 0.91 LDHA (0.47) LDHAPPARDPPARGFFAR1CA12
SCHEMBL19221367 0.87 FFAR1 (0.46) LDHAPPARDPPARGFFAR1CA12
SCHEMBL524638 0.86 ITGB3 (0.59) FFAR1CA12CA1CA2CA7
SCHEMBL9784912 0.86 ITGB3 (0.59) FFAR1CA12CA1CA2CA7
SCHEMBL8970225 0.86 FFAR1 (0.49) LDHAPPARDPPARGFFAR1CA12
SCHEMBL455152 0.86 ITGB3 (0.59) FFAR1CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL6775024 0.84 ITGB3 (0.58) FFAR1CA12CA1CA2CA7
SCHEMBL12907521 0.82 FFAR1 (0.43) LDHAPPARDPPARGFFAR1CA12
SCHEMBL3686436 0.80 FFAR1 (0.59) PPARDFFAR1MEN1KMT2A
SCHEMBL19512313 0.80 SLC1A1 (0.58) FFAR1CA12CA1CA2CA7

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-20110130349-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-02 US disclosed
US-7838548-B2 Compounds and methods for treating toll-like receptor 2-related diseases and conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-23 US disclosed
US-20090186855-A1 COMPOUNDS AND METHODS FOR TREATING TOLL-LIKE RECEPTOR 2-RELATED DISEASES AND CONDITIONS EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-23 US disclosed
US-7550501-B2 Compounds and methods for treating toll-like receptor 2-related diseases and conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-23 US disclosed
EP-1697389-A4 COMPOUNDS AND METHODS FOR TREATING TOLL-LIKE RECEPTOR 2-RELATED DISEASES AND CONDITIONS EISAI R&D MAN CO LTD (JP) 2008-12-24 EP disclosed
US-20070167409-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions EISAI CO., LTD. (JP) 2007-07-19 US disclosed
US-7202234-B2 Compounds and methods for treating Toll-like receptor 2-related diseases and conditions EISAI CO., LTD. (JP) 2007-04-10 US disclosed
EP-1697389-A2 COMPOUNDS AND METHODS FOR TREATING TOLL-LIKE RECEPTOR 2-RELATED DISEASES AND CONDITIONS Eisai Co., Ltd. (JP) 2006-09-06 EP disclosed
US-20050113345-A1 Compounds and methods for treating Toll-like receptor 2-related diseases and conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-05-26 US disclosed
WO-2005039504-A2 COMPOUNDS AND METHODS FOR TREATING TOLL-LIKE RECEPTOR 2-RELATED DISEASES AND CONDITIONS EISAI CO., LTD. (JP) 2005-05-06 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 (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-20090186855-A1 COMPOUNDS AND METHODS FOR TREATING TOLL-LIKE RECEPTOR 2-RELATED DISEASES AND CONDITIONS TLR2, TLR6, TLR3 LDHA 1698/4885PPARD 416/4885PPARG 95/4885
US-20070167409-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions TLR2, TLR6, TLR3 LDHA 1698/4885PPARD 416/4885PPARG 95/4885
US-20050113345-A1 Compounds and methods for treating Toll-like receptor 2-related diseases and conditions TLR2, TLR6, TLR3 LDHA 1698/4885PPARD 416/4885PPARG 95/4885
US-20110130349-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions TLR2, TLR6, TLR3 LDHA 1698/4885PPARD 416/4885PPARG 95/4885

“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.