Sugi Predict

Sugi Predict / Compounds / SCHEMBL4644817

SCHEMBL4644817

SCHEMBL4644817

CCOC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ MMP1 P03956 1/20 0.54
▸ MMP2 P08253 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ MMP13 P45452 1/20 0.54
▸ THRB P10828 1/20 0.53
▸ CYP19A1 P11511 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ USP2 O75604 1/20 0.48

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
SCHEMBL3817262 0.89 ALDH1A1 (0.51) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL31120657 0.88 CA1 (0.57) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL5201127 0.88 CA1 (0.57) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL3382445 0.88 THRB (0.57) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL29096884 0.85 CYP19A1 (0.56) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL18127253 0.85 CA1 (0.54) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL7017836 0.84 MAPT (0.53) ALDH1A1TDP1LMNASMN1; SMN2MEN1
SCHEMBL27590392 0.82 CA1 (0.56) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL27463180 0.81 ALDH1A1 (0.56) ALDH1A1TDP1HIF1AMEN1KMT2A
SCHEMBL15621323 0.81 CA1 (0.62) ALDH1A1CA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105777746-B The preparation method of simultaneously [3,4 d] pyrimidine derivatives of 5,6,7,8 tetrahydropyridines with antifungal activity 河南师范大学 2018-03-20 — — CN claimed
CN-105777746-A Preparation method for 5,6,7,8- tetrahydropyrido[3,4-d] pyrimidine derivative with antifungal activity 河南师范大学 2016-07-20 — — CN claimed
US-10882854-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2021-01-05 — — US disclosed
US-20180208588-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2018-07-26 — — US disclosed
US-20180208588-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2018-07-26 — — US disclosed
CN-105777746-B The preparation method of simultaneously [3,4 d] pyrimidine derivatives of 5,6,7,8 tetrahydropyridines with antifungal activity 河南师范大学 2018-03-20 — — CN disclosed
CN-105777746-A Preparation method for 5,6,7,8- tetrahydropyrido[3,4-d] pyrimidine derivative with antifungal activity 河南师范大学 2016-07-20 — — CN disclosed
EP-1685102-A4 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2008-08-20 — — EP disclosed
US-7122662-B2 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-10-17 — — US disclosed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 — — EP disclosed
US-20050148769-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. 2005-07-07 — — US disclosed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 — — WO disclosed
US-6858599-B2 Inhibitor for activated blood coagulation factor X MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-22 — — US disclosed
EP-1191028-B1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARM CO LTD (JP) 2004-11-03 — — EP disclosed
US-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 — — US disclosed
US-20030045520-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 — — US disclosed
EP-1191028-A1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-03-27 — — 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 (5 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-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds VKORC1, CYP46A1, TFPI ALDH1A1 1517/4885CA1 1971/4885CA2 1735/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 ALDH1A1 1073/4885CA1 658/4885CA2 458/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 ALDH1A1 1791/4885CA1 727/4885CA2 455/4885
US-20180208588-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, CX3CR1 ALDH1A1 57/4885CA1 3235/4885CA2 4631/4885
US-10882854-B2 Heterocyclic compounds and use thereof CXCL12, HPGDS, CX3CR1 ALDH1A1 57/4885CA1 3235/4885CA2 4631/4885

“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.