SCHEMBL3468255

SCHEMBL3468255

O=C(O)C#Cc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.51
FFAR1 O14842 2/20 0.49
ALDH1A1 P00352 1/20 0.43
KCNH2 Q12809 1/20 0.43
HSP90AA1 P07900 1/20 0.42
NTSR1 P30989 1/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GRM5 P41594 1/20 0.40
IKBKB O14920 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL30772315 0.84 HSP90AA1 (0.48) FFAR1ALDH1A1HSP90AA1NTSR1CES2
SCHEMBL9189694 0.82 HSP90AA1 (0.64) PTGDR2FFAR1ALDH1A1KCNH2HSP90AA1
SCHEMBL31614587 0.82 HSP90AA1 (0.64) PTGDR2FFAR1ALDH1A1KCNH2HSP90AA1
SCHEMBL17493233 0.82 PTGDR2 (0.50) PTGDR2FFAR1ALDH1A1KCNH2HSP90AA1
SCHEMBL12430909 0.82 PTGDR2 (0.46) PTGDR2FFAR1ALDH1A1KCNH2HSP90AA1
SCHEMBL3863545 0.78 ESR2 (0.49) FFAR1ERCC5FEN1
SCHEMBL29162906 0.78 FFAR1 (0.49) PTGDR2FFAR1ALDH1A1CES2CES1
SCHEMBL852910 0.77 PTGDR2 (0.46) PTGDR2FFAR1KCNH2GRM5IKBKB
SCHEMBL6577018 0.77 TSHR (0.42) FFAR1ALDH1A1CES2CES1ERCC5
SCHEMBL27343866 0.77 KCNH2 (0.48) PTGDR2FFAR1ALDH1A1KCNH2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108424367-B Method for preparing propiolic acid and derivatives thereof under mild condition 中国科学院化学研究所 2020-08-18 CN disclosed
US-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 US disclosed
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 US disclosed
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 US disclosed
US-20180237394-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2018-08-23 US disclosed
WO-2017027768-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2017-02-16 WO disclosed
WO-2010069754-A1 CATIONIC RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-06-24 WO disclosed
EP-0202490-B1 METHOD FOR FORMING A POLYMER IMAGE AND IMAGE RECORDING MATERIAL THEREFOR FUJI PHOTO FILM CO., LTD. (JP) 1988-09-21 EP 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-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT PTGDR2 2842/4885FFAR1 3074/4885ALDH1A1 1848/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT PTGDR2 2842/4885FFAR1 3074/4885ALDH1A1 1848/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT PTGDR2 2842/4885FFAR1 3074/4885ALDH1A1 1848/4885
US-20180237394-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT PTGDR2 2842/4885FFAR1 3074/4885ALDH1A1 1848/4885

“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.