SCHEMBL15859321

SCHEMBL15859321

[O]C#CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CALM1 P0DP23 1/20 0.41
KCNH2 Q12809 2/20 0.39
EPHX2 P34913 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
AKR1B1 P15121 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
IDO1 P14902 1/20 0.38
TP53 P04637 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
TRPA1 O75762 1/20 0.38
IDH1 O75874 1/20 0.36
MAOB P27338 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 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
SCHEMBL3888886 0.83 CALM1 (0.50) FFAR1FFAR4CALM1KCNH2TSHR
SCHEMBL9856631 0.78 CALM1 (0.45) FFAR1FFAR4CALM1KCNH2TSHR
SCHEMBL96274 0.77 FFAR1 (0.43) FFAR1FFAR4CALM1KCNH2EPHX2
SCHEMBL6827451 0.76 CALM1 (0.43) FFAR1FFAR4CALM1KCNH2TSHR
SCHEMBL262056 0.75 FFAR1 (0.42) FFAR1FFAR4CALM1KCNH2EPHX2
SCHEMBL9127147 0.75 IDO1 (0.42) KCNH2ALDH1A1IDO1
SCHEMBL3508188 0.74 MAOB (0.42) FFAR1FFAR4CALM1KCNH2TSHR
SCHEMBL1453870 0.74 CALM1 (0.41) FFAR1FFAR4CALM1KCNH2TSHR
SCHEMBL185558 0.74 TP53 (0.43) FFAR1FFAR4CALM1KCNH2TSHR
SCHEMBL3633156 0.74 FFAR1 (0.44) FFAR1FFAR4CALM1KCNH2CES2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772480-B2 HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2020-12-09 EP disclosed
EP-3670496-A2 ACC2 INHIBITORS Shionogi&Co., Ltd. (JP) 2020-06-24 EP disclosed
EP-2952503-B1 CARBOXYLIC ACID DERIVATIVES AS HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2019-10-23 EP disclosed
US-20190144396-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-16 US disclosed
US-10233156-B2 9-membered fused ring derivative SHIONOGI & CO., LTD. (JP) 2019-03-19 US disclosed
US-20180362543-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2018-12-20 US disclosed
US-10150728-B2 Alkylene derivatives SHIONOGI & CO., LTD. (JP) 2018-12-11 US disclosed
US-9988373-B2 Nitrogen-containing six-membered cyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2018-06-05 US disclosed
EP-2772480-B1 HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2018-05-23 EP disclosed
US-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2018-03-22 US disclosed
EP-2752410-B1 HETEROCYCLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO (JP) 2016-08-31 EP disclosed
EP-3059225-A1 NOVEL ALKYLENE DERIVATIVE Shionogi & Co., Ltd. (JP) 2016-08-24 EP disclosed
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 US disclosed
EP-2952503-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2015-12-09 EP disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140316037-A1 BIODEGRADABLE ALIPHATIC-AROMATIC COPOLYESTERS, COMPOSITIONS THEREOF, METHODS OF MANUFACTURE, AND ARTICLES THEREOF SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2014-10-23 US disclosed
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-18 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
EP-2772480-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2014-09-03 EP disclosed
EP-2752410-A1 HETEROCYCLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY Shionogi & Co., Ltd. (JP) 2014-07-09 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 (8 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-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 FFAR1 941/4885FFAR4 1810/4885CALM1 460/4885
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY PTGDR, PTGDR2, PTGER4 FFAR1 291/4885FFAR4 178/4885CALM1 2367/4885
US-10150728-B2 Alkylene derivatives ACSS2, ACACB, CES2 FFAR1 346/4885FFAR4 928/4885CALM1 1433/4885
US-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA FFAR1 3186/4885FFAR4 3764/4885CALM1 3908/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 FFAR1 2081/4885FFAR4 3462/4885CALM1 3175/4885
US-20190144396-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 FFAR1 941/4885FFAR4 1810/4885CALM1 460/4885
US-10233156-B2 9-membered fused ring derivative AGTR2, ACSS2, ACSL3 FFAR1 1037/4885FFAR4 1643/4885CALM1 544/4885
US-20180362543-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA FFAR1 3186/4885FFAR4 3764/4885CALM1 3908/4885

“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.