SCHEMBL15859286

SCHEMBL15859286

O=[C]OC#CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TP53 P04637 1/20 0.36
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 2/20 0.34
PAM P19021 1/20 0.33
CALM1 P0DP23 1/20 0.33
SRR Q9GZT4 1/20 0.32
EPHX2 P34913 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
AKR1B1 P15121 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL9128675 0.87 TP53 (0.42) FFAR1FFAR4TP53TSHRALDH1A1
SCHEMBL6075646 0.75 MAOB (0.39) FFAR1FFAR4TP53TSHRSLC6A2
SCHEMBL2557228 0.74 TP53 (0.44) FFAR1FFAR4TP53TSHRALDH1A1
SCHEMBL15859547 0.74 TP53 (0.39) FFAR1FFAR4TP53TSHRALDH1A1
SCHEMBL7496556 0.74 IDO1 (0.44) FFAR1FFAR4TP53TSHRKCNH2
SCHEMBL3888886 0.74 CALM1 (0.50) FFAR1FFAR4TP53TSHRALDH1A1
SCHEMBL14775110 0.73 AKR1B1 (0.45) FFAR1FFAR4TSHRALDH1A1MAPK1
SCHEMBL14775107 0.73 FFAR1 (0.45) FFAR1FFAR4TSHRALDH1A1MAPK1
SCHEMBL29151789 0.72 TP53 (0.37) FFAR1FFAR4TP53TSHRKMT2A
SCHEMBL262056 0.71 FFAR1 (0.42) FFAR1FFAR4TP53TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870661-B2 Nitrogen-containing tricyclic derivatives having HIV replication inhibitory activity SHIONOGI & CO., LTD. (JP) 2020-12-22 US disclosed
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
US-20200055873-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2020-02-20 US 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-20180162876-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2018-06-14 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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 (11 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-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY PTGDR, PTGDR2, PTGER4 FFAR1 291/4885FFAR4 178/4885TP53 4674/4885
US-10150728-B2 Alkylene derivatives ACSS2, ACACB, CES2 FFAR1 346/4885FFAR4 928/4885TP53 4460/4885
US-20200055873-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY NR4A3, CCR3, NCOA3 FFAR1 1909/4885FFAR4 2758/4885TP53 2754/4885
US-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA FFAR1 3186/4885FFAR4 3764/4885TP53 2963/4885
US-20180162876-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY NR4A3, CCR3, NCOA3 FFAR1 1909/4885FFAR4 2758/4885TP53 2754/4885
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 FFAR1 661/4885FFAR4 800/4885TP53 4801/4885
US-10870661-B2 Nitrogen-containing tricyclic derivatives having HIV replication inhibitory activity NR4A3, CCR3, NCOA3 FFAR1 1909/4885FFAR4 2758/4885TP53 2754/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 FFAR1 2081/4885FFAR4 3462/4885TP53 1890/4885
US-20190144396-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 FFAR1 941/4885FFAR4 1810/4885TP53 4381/4885
US-10233156-B2 9-membered fused ring derivative AGTR2, ACSS2, ACSL3 FFAR1 1037/4885FFAR4 1643/4885TP53 4387/4885
US-20180362543-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA FFAR1 3186/4885FFAR4 3764/4885TP53 2963/4885

“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.