SCHEMBL945863

SCHEMBL945863

CC1(C)OC[C@H](COc2ccc(C=O)cc2Cl)O1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.41
▸ HPGD P15428 5/20 0.41
▸ KCNJ5 P48544 1/20 0.40
▸ KCNJ3 P48549 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TACR2 P21452 1/20 0.37
▸ MAPK14 Q16539 4/20 0.36
▸ LMNA P02545 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
SCHEMBL944361 1.00 P2RX3 (0.41) P2RX3HPGDKCNJ5KCNJ3CA2
SCHEMBL23374815 1.00 P2RX3 (0.41) P2RX3HPGDKCNJ5KCNJ3CA2
SCHEMBL15077459 0.83 MAPK14 (0.42) CA2ALDH1A1MAPK14
SCHEMBL14804163 0.81 P2RX3 (0.47) P2RX3KCNJ5KCNJ3CA2
SCHEMBL13125279 0.80 MRGPRX4 (0.46) P2RX3HPGDKCNJ5KCNJ3LMNA
SCHEMBL382940 0.80 APP (0.48) HPGDCA2CYP1A2ALDH1A1MAPT
SCHEMBL3598217 0.80 APP (0.48) HPGDCA2CYP1A2ALDH1A1MAPT
SCHEMBL251926 0.80 APP (0.48) HPGDCA2CYP1A2ALDH1A1MAPT
SCHEMBL12673084 0.78 ALDH1A1 (0.46) CA2ALDH1A1MAPK14
SCHEMBL12800745 0.77 P2RX3 (0.39) P2RX3KCNJ5KCNJ3CA2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023152691-A1 PROCESS FOR THE PREPARATION OF PONESIMOD AND ITS INTERMEDIATES THEREOF METROCHEM API PVT LTD (IN) 2023-08-17 — — WO disclosed
US-11014940-B1 Thiazolidinone and oxazolidinone compounds and formulations CELGENE CORPORATION (US) 2021-05-25 — — US disclosed
US-11014940-B1 Thiazolidinone and oxazolidinone compounds and formulations CELGENE CORPORATION (US) 2021-05-25 — — US disclosed
US-9000018-B2 Thiazolidin-4-one-derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2015-04-07 — — US disclosed
US-RE45174-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 — — US disclosed
US-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-21 — — US disclosed
US-8524752-B2 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-03 — — US disclosed
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2012-11-29 — — US disclosed
US-RE43833-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-27 — — US disclosed
US-RE43728-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-09 — — US disclosed
US-8273779-B2 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one; {2-[4-(2-([Z]-isopropylimino)-4-oxo-3-phenyl-thiazolidin-5-[Z]-ylidenemethyl)-phenoxy]-ethoxy}-acetic acid; immunosuppressant agents; multiple sclerosis, psoriasis ACTELION PHARMACEUTICALS LTD. (CH) 2012-09-25 — — US disclosed
EP-2295418-A1 5-(benz-(z)-ylidene)-thiazolidin-4-one derivatives as immunosuppressant agents Actelion Pharmaceuticals Ltd. (CH) 2011-03-16 — — EP disclosed
US-7875726-B2 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-25 — — US disclosed
EP-1689726-B1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 — — EP disclosed
US-7626037-B2 5-Benzylidene-2-imino- or hydrazonothiazolidin-4-one derivatives, e.g., 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one and 2-(dimethyl-hydrazono)-5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-3-phenyl-thiazolidin-4-one; immunosuppressant agents ACTELION PHARMACEUTICALS LTD. (CH) 2009-12-01 — — US disclosed
US-20090275625-A1 NOVEL THIAZOLIDIN 4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2009-11-05 — — US disclosed
US-20080280962-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-11-13 — — US disclosed
US-7435828-B2 immunosuppressive agents; low dosages; 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-o-tolyl-thiazolidin-4-one ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 — — US disclosed
US-20080146629-A1 5-Benzylidene-2-imino- or hydrazonothiazolidin-4-one derivatives, e.g., 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one and 2-(dimethyl-hydrazono)-5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-3-phenyl-thiazolidin-4-one; immunosuppressant agents ACTELION PHARMACEUTICALS, LTD. (CH) 2008-06-19 — — US disclosed
US-20070082933-A1 Novel thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS, LTD. 2007-04-12 — — US 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 (7 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-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES TLR4, IRF3, IL4 P2RX3 552/4885HPGD 1302/4885KCNJ5 2820/4885
US-20070082933-A1 Novel thiazolidin-4-one derivatives TLR4, IL4, IRF3 P2RX3 473/4885HPGD 1505/4885KCNJ5 2545/4885
US-20090275625-A1 NOVEL THIAZOLIDIN 4-ONE DERIVATIVES TLR4, IRF3, TLR1 P2RX3 480/4885HPGD 1375/4885KCNJ5 2809/4885
US-20080146629-A1 5-Benzylidene-2-imino- or hydrazonothiazolidin-4-one derivatives, e.g., 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one and 2-(dimethyl-hydrazono)-5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-3-phenyl-thiazolidin-4-one; immunosuppressant agents ICOS, IL2, IKZF3 P2RX3 704/4885HPGD 362/4885KCNJ5 538/4885
US-11014940-B1 Thiazolidinone and oxazolidinone compounds and formulations IL17A, OXA1L, ACOX1 P2RX3 2229/4885HPGD 783/4885KCNJ5 1853/4885
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 P2RX3 473/4885HPGD 1505/4885KCNJ5 2545/4885
US-20080280962-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 P2RX3 473/4885HPGD 1505/4885KCNJ5 2545/4885

“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.

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