SCHEMBL1121836

SCHEMBL1121836

OCc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
P2RX7 Q99572 1/20 0.32
DAGLA Q9Y4D2 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL18982574 0.84 NOTUM (0.34) NOTUMPOLBSMN1; SMN2CYP11B1CYP11B2
SCHEMBL653830 0.84 CYP11B1 (0.33) L3MBTL1POLBSMN1; SMN2CYP11B1CYP11B2
SCHEMBL752388 0.84 POLB (0.33) ALDH1A1POLBSMN1; SMN2CYP11B1CYP11B2
SCHEMBL2897339 0.83 HPGD (0.42) ALDH1A1POLBSMN1; SMN2HPGDDAGLA
SCHEMBL5603377 0.83 TRPV1 (0.42) L3MBTL1DAGLATSHRCNR2
SCHEMBL30343520 0.81 POLB (0.32) POLBSMN1; SMN2CYP11B1CYP11B2CNR2
SCHEMBL8131036 0.81 DAGLA (0.32) CYP11B1CYP11B2DAGLA
SCHEMBL12327489 0.81 DAGLA (0.35) NOTUMSMN1; SMN2CYP11B1CYP11B2DAGLA
SCHEMBL5641795 0.80 CNR2 (0.38) CYP11B1CYP11B2CNR2
SCHEMBL22832703 0.80 IDO1 (0.36) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2024089421-A1 TETRAZOLE DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2024-05-02 WO disclosed
CN-117088869-A 3CL protease inhibitor and preparation method and application thereof 上海翊石医药科技有限公司 2023-11-21 CN 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
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-2020222011-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-101253171-B Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives HOFFMANN LA ROCHE 2011-06-15 CN disclosed
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-7772253-B2 Amide derivatives as somatostatin receptor 5 antagonists HOFFMAN-LA ROCHE INC. (US) 2010-08-10 US disclosed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
EP-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 US disclosed
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
US-20060239999-A1 Preventive and/or therapeutic drugs for asthma KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-10-26 US disclosed
EP-1547616-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ITCH KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-29 EP disclosed
EP-1537879-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ASTHMA KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-08 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 (6 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 NOTUM 423/4885L3MBTL1 2017/4885ALDH1A1 9/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R NOTUM 4278/4885L3MBTL1 4745/4885ALDH1A1 1384/4885
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 NOTUM 2899/4885L3MBTL1 4455/4885ALDH1A1 3425/4885
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 NOTUM 423/4885L3MBTL1 2017/4885ALDH1A1 9/4885
US-20060239999-A1 Preventive and/or therapeutic drugs for asthma GPR4, HRH4, GPR3 NOTUM 1317/4885L3MBTL1 3160/4885ALDH1A1 2904/4885
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch GPR4, TRPV1, TRPV4 NOTUM 3487/4885L3MBTL1 3773/4885ALDH1A1 2351/4885

“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.