SCHEMBL851869

SCHEMBL851869

CCOC(=O)Cc1ccccc1C=CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 11/20 0.55
PTGER2 P43116 10/20 0.55
PTGER4 P35408 8/20 0.55
PTGER1 P34995 4/20 0.50
PTGDR Q13258 5/20 0.49
TBXA2R P21731 4/20 0.49
PTGFR P43088 3/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NFKB1 P19838 1/20 0.46
CA4 P22748 1/20 0.46
PTGIR P43119 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
TBXAS1 P24557 1/20 0.44

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
SCHEMBL851868 1.00 PTGER3 (0.55) PTGER3PTGER2PTGER4PTGER1PTGDR
SCHEMBL15259711 0.82 LMNA (0.55) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL2038938 0.81 PKM (0.50) PKMSMN1; SMN2KDM4EALDH1A1TBXAS1
SCHEMBL1150939 0.81 PTGER3 (0.63) PTGER3PTGER2PTGER4PTGER1PTGDR
SCHEMBL309761 0.81 PTGER3 (0.63) PTGER3PTGER2PTGER4PTGER1PTGDR
SCHEMBL3214322 0.81 PTGER3 (0.63) PTGER3PTGER2PTGER4PTGER1PTGDR
SCHEMBL21855475 0.81 CCNC (0.41) PKMSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL8012911 0.79 PTGER3 (0.61) PTGER3PTGER2PTGER4PTGER1PTGDR
SCHEMBL8012913 0.79 PTGER3 (0.61) PTGER3PTGER2PTGER4PTGER1PTGDR
SCHEMBL68340 0.79 PKM (0.60) PKMSMN1; SMN2ALDH1A1TBXAS1

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-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US disclosed
US-9879033-B2 Modulators of 5-HT receptors and methods of use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-30 US disclosed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US disclosed
US-9187483-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP disclosed
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO disclosed
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 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-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PTGER3 53/4885PTGER2 118/4885PTGER4 96/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PTGER3 53/4885PTGER2 118/4885PTGER4 96/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PTGER3 53/4885PTGER2 118/4885PTGER4 96/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PTGER3 53/4885PTGER2 118/4885PTGER4 96/4885

“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.