SCHEMBL8596374

SCHEMBL8596374

CC(=O)OC(C(=O)O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL17476047 1.00 TSHR (0.40) TSHRTDP1ALOX15CHRM2CHRM4
Hydrochloric Acid SCHEMBL9300845 0.98 TSHR (0.39) TSHRTDP1ALOX15CHRM2CHRM4
SCHEMBL9300841 0.79 TSHR (0.39) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL10475855 0.79 ALDH1A1 (0.38) TSHR
SCHEMBL15284985 0.78 TSHR (0.42) TSHRTDP1ALOX15CHRM2CHRM4
SCHEMBL15284981 0.78 TSHR (0.42) TSHRTDP1ALOX15CHRM2CHRM4
SCHEMBL27996325 0.76 TSHR (0.40) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL6931998 0.75 SLC1A3 (0.36)
SCHEMBL6932001 0.75 SLC1A3 (0.36)
SCHEMBL19663109 0.74 ACHE (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 EP disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 US disclosed
CN-110016020-B Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 赛克里翁治疗有限公司 2022-07-26 CN disclosed
EP-3998260-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2022-05-18 EP disclosed
EP-3660013-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2022-01-19 EP disclosed
US-11207323-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-12-28 US disclosed
CN-108912111-B Compounds and pharmaceutical compositions 赛克里翁治疗有限公司 2021-09-14 CN disclosed
US-20200316065-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2020-10-08 US disclosed
EP-3660013-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2020-06-03 EP disclosed
US-10639308-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-05-05 US disclosed
US-20170137439-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-20170136019-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-9586937-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2017-03-07 US disclosed
US-20160375022-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-12-29 US disclosed
US-20160347738-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2016-12-01 US disclosed
US-9481689-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-20160031903-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-02-04 US disclosed
EP-0592669-B1 OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 1998-01-28 EP disclosed
US-5665270-A Optically active trifluorolactic acid derivative and liquid crystal composition CHISSO CORPORATION (JP) 1997-09-09 US disclosed
EP-0592669-A1 OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1994-04-20 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 (9 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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 TSHR 1687/4885TDP1 711/4885ALOX15 590/4885
US-20170137439-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 TSHR 1687/4885TDP1 711/4885ALOX15 590/4885
US-11207323-B2 sGC stimulators PTGIS, CGAS, GUCY1A1 TSHR 1687/4885TDP1 711/4885ALOX15 590/4885
US-10639308-B2 sGC stimulators PTGIS, CGAS, GUCY1A1 TSHR 1687/4885TDP1 711/4885ALOX15 590/4885
US-20160347738-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 TSHR 1687/4885TDP1 711/4885ALOX15 590/4885
US-20170136019-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 TSHR 1687/4885TDP1 711/4885ALOX15 590/4885
US-20160375022-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 TSHR 1687/4885TDP1 711/4885ALOX15 590/4885
US-20160031903-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 TSHR 1687/4885TDP1 711/4885ALOX15 590/4885
US-20200316065-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 TSHR 1687/4885TDP1 711/4885ALOX15 590/4885

“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.