Sugi Predict

Sugi Predict / Compounds / SCHEMBL4238048

SCHEMBL4238048

SCHEMBL4238048

O=C1C=C(O)CC(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPT P10636 4/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RECQL P46063 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CFTR P13569 1/20 0.32
▸ GOPC Q9HD26 1/20 0.32
▸ F10 P00742 2/20 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
SCHEMBL8683553 0.71 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTL3MBTL1AKR1C3
SCHEMBL8683959 0.71 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTL3MBTL1AKR1C3
SCHEMBL8683384 0.71 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTL3MBTL1AKR1C3
SCHEMBL18320738 0.69 POLB (0.39) POLBALDH1A1ALOX12HTTSMN1; SMN2
Benzene SCHEMBL27796799 0.69 AKR1C3 (0.43) POLBMAPTRECQLGAAAKR1C3
SCHEMBL17472262 0.69 LMNA (0.36) POLBALDH1A1TSHRL3MBTL1
SCHEMBL301495 0.68 — —
SCHEMBL31356799 0.67 POLB (0.43) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL20212651 0.66 CYP2D6 (0.38) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL28490005 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0156773-B1 DERIVATIVES OF CYCLOHEXENONE CARBOXYLICACID WITH HERBICIDE ACTION AND THE ABILITY TO REGULATE THE GROWTH OF PLANTS CIBA-GEIGY AG (CH) 1989-09-06 — — EP claimed
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 — — EP disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 — — CN disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 — — US disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 — — CN 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
WO-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 — — WO disclosed
US-20090093473-A1 Spiro-benzimidazoles as inhibitors of gastric acid secretion NYCOMED GMBH (DE) 2009-04-09 — — US disclosed
US-20080153705-A1 METHOD FOR INHIBITING DIFFERENTITATION AND FORMATION OF CONIFEROPHYTA MALE FLOWERS BY TREATMENT WITH PROHEXADIONE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2008-06-26 — — US disclosed
EP-1899338-A1 SPIRO-BENZIMIDAZOLES AS INHIBITORS OF GASTRIC ACID SECRETION Nycomed GmbH (DE) 2008-03-19 — — EP disclosed
WO-2006134111-A1 SPIRO-BENZIMIDAZOLES AS INHIBITORS OF GASTRIC ACID SECRETION NYCOMED GMBH (DE) 2006-12-21 — — WO disclosed
US-4792557-A 2,4-diamino-5[4-amino (or dimethylamino)-3,5-dimethoxybenzyl]pyrimidine and antibacterial composition thereof HOFFMAN-LA ROCHE INC. (US) 1988-12-20 — — US disclosed
US-4659818-A Intermediates for benzylpyrimidines HOFFMANN-LA ROCHE INC. (US) 1987-04-21 — — US disclosed
US-4515948-A BACTERICIDES, SULFA DRUG POTENTIATORS HOFFMANN-LA ROCHE INC. (US) 1985-05-07 — — US disclosed
US-4076810-A Benzylpyrimidine antibacterial composition HOFFMANN-LA ROCHE INC. (US) 1978-02-28 — — US disclosed
US-4024145-A Benzylpyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1977-05-17 — — 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 (4 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 POLB 2322/4885ALDH1A1 1529/4885ALOX12 547/4885
US-20080153705-A1 METHOD FOR INHIBITING DIFFERENTITATION AND FORMATION OF CONIFEROPHYTA MALE FLOWERS BY TREATMENT WITH PROHEXADIONE COMPOUNDS CYP17A1, CYP21A2, CYP51A1 POLB 1235/4885ALDH1A1 804/4885ALOX12 316/4885
US-11207323-B2 sGC stimulators PTGIS, CGAS, GUCY1A1 POLB 2322/4885ALDH1A1 1529/4885ALOX12 547/4885
US-20090093473-A1 Spiro-benzimidazoles as inhibitors of gastric acid secretion GIPR, PGC, SLC10A2 POLB 4422/4885ALDH1A1 187/4885ALOX12 2728/4885

“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.