SCHEMBL1967208

SCHEMBL1967208

O=C(O)C[C@H](O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
CETP P11597 1/20 0.43
PGD P52209 1/20 0.41
GABRR1 P24046 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
HTT P42858 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
SCHEMBL321640 1.00 SLC22A6 (0.48) SLC22A6SMN1; SMN2CETPPGDGABRR1
SCHEMBL321641 1.00 SLC22A6 (0.48) SLC22A6SMN1; SMN2CETPPGDGABRR1
SCHEMBL12965457 0.81 ALDH1A1 (0.43) CETPPGDTDP1PKMMAPT
SCHEMBL10335801 0.80 CETP (0.46) SLC22A6CETPLMNAPKMHTT
SCHEMBL10335654 0.80 CETP (0.46) SLC22A6CETPLMNAPKMHTT
SCHEMBL10335818 0.80 CETP (0.46) SLC22A6CETPLMNAPKMHTT
SCHEMBL16877270 0.79 SLC22A6 (0.43) SLC22A6SMN1; SMN2PGDGABRR1LMNA
SCHEMBL28191246 0.77 SLC22A6 (0.42) SLC22A6SMN1; SMN2PGDGABRR1LMNA
SCHEMBL23326065 0.76 CETP (0.42) CETPPKMHTT
SCHEMBL15415836 0.76 CETP (0.48) CETPLMNATDP1PKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716841-A Process for the resolution of ethyl 4,4,4-trifluoro-3(R)-hydroxybutanoate using lipase from candida SYNTHELABO (FR) 1998-02-10 US claimed
US-12390437-B2 Itaconic acid derivatives and uses thereof intreating an inflammatory disease or a disease associated with an undesirable immune response SITRYX THERAPEUTICS LIMITED (GB) 2025-08-19 US disclosed
EP-3962602-B1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LTD (GB) 2025-06-25 EP disclosed
EP-4192821-A1 ALPHA,BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2023-06-14 EP disclosed
WO-2023085367-A1 GCL INHIBITOR 小野薬品工業株式会社 2023-05-19 WO disclosed
US-20220265595-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF INTREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LIMITED (GB) 2022-08-25 US disclosed
EP-3962888-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE Sitryx Therapeutics Limited (GB) 2022-03-09 EP disclosed
EP-3962602-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE Sitryx Therapeutics Limited (GB) 2022-03-09 EP disclosed
CN-113825740-A Itaconic acid derivatives and their use in the treatment of inflammatory diseases or diseases associated with adverse immune reactions 西特瑞治疗有限公司 2021-12-21 CN disclosed
WO-2020222010-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LIMITED (GB) 2020-11-05 WO disclosed
CN-104630242-A Carbonyl reductase gene, codase, vector, engineering bacterium and application thereof UNIV ZHEJIANG TECHNOLOGY 2015-05-20 CN disclosed
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed
EP-2334657-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
WO-2010031735-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-5716841-A Process for the resolution of ethyl 4,4,4-trifluoro-3(R)-hydroxybutanoate using lipase from candida SYNTHELABO (FR) 1998-02-10 US disclosed
EP-0415833-B1 Optically active fluorine-containing alcohol compounds and liquid crystal compounds therefrom SHOWA SHELL SEKIYU (JP) 1996-09-11 EP disclosed
US-5096613-A OPTICALLY ACTIVE FLUORINE-CONTAINING ALCOHOL COMPOUNDS AND LIQUID CRYSTAL COMPOUNDS THEREFROM SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1992-03-17 US disclosed
EP-0415833-A2 Optically active fluorine-containing alcohol compounds and liquid crystal compounds therefrom Showa Shell Sekiyu Kabushiki Kaisha (JP) 1991-03-06 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 (3 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-20220265595-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF INTREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE IL1R1, IL1B, IL1A SLC22A6 1808/4885SMN1; SMN2 3731/4885CETP 3206/4885
US-12390437-B2 Itaconic acid derivatives and uses thereof intreating an inflammatory disease or a disease associated with an undesirable immune response IL1R1, IL1B, IL1A SLC22A6 1808/4885SMN1; SMN2 3731/4885CETP 3206/4885
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HTR2A, HTR3A, HTR1A SLC22A6 675/4885SMN1; SMN2 3217/4885CETP 3816/4885

“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.