Sugi Predict

Sugi Predict / Compounds / SCHEMBL236727

SCHEMBL236727

SCHEMBL236727

CC(C)OP(N)OC(C)C.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.43
▸ MAOB P27338 3/20 0.43
▸ TAAR1 Q96RJ0 3/20 0.42
▸ SIGMAR1 Q99720 3/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ CYP2A6 P11509 2/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ AOC3 Q16853 2/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL19066702 0.73 TAAR1 (0.56) MAOAMAOBTAAR1SIGMAR1SLC6A2
Methylamine SCHEMBL3038332 0.72 MAOA (0.65) MAOAMAOBTAAR1SLC6A2CYP2A6
SCHEMBL1064822 0.72 — —
Ethane SCHEMBL21049496 0.69 ALDH1A1 (0.61) MAOAMAOBTAAR1CYP2A6AOC3
Hydrazine SCHEMBL4517324 0.69 MAOA (0.68) MAOAMAOBTAAR1SLC6A2CYP2A6
SCHEMBL3885039 0.69 L3MBTL1 (0.48) MAOAMAOBCYP2D6TSHR
SCHEMBL9741303 0.69 ALDH1A1 (0.69) MAOAMAOBTAAR1SIGMAR1CYP2A6
SCHEMBL62125 0.69 ALDH1A1 (0.69) MAOAMAOBTAAR1SIGMAR1CYP2A6
Benzene SCHEMBL3440179 0.69 ALDH1A1 (0.69) MAOAMAOBTAAR1SIGMAR1CYP2A6
SCHEMBL92354 0.68 CA1 (0.44) MAOATAAR1SIGMAR1SLC6A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111588847-B Conjugate containing monophosphorylated lipid A and saccharide antigen and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2023-05-26 — — CN claimed
CN-111588847-A Conjugate containing monophosphorylated lipid A and saccharide antigen and its prepn and application 广州中医药大学(广州中医药研究院) 2020-08-28 — — CN claimed
CN-108795289-B Nano titanium surface loaded Si, Cu-TiO 2Preparation method of antibacterial bioactive film layer 温州医科大学附属口腔医院 2020-07-17 — — CN claimed
US-20240051979-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2024-02-15 — — US disclosed
CN-111588847-B Conjugate containing monophosphorylated lipid A and saccharide antigen and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2023-05-26 — — CN disclosed
EP-4017588-A1 TREPROSTINIL PRODRUGS United Therapeutics Corporation (US) 2022-06-29 — — EP disclosed
US-20210085700-A1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS, INC. 2021-03-25 — — US disclosed
WO-2021041320-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2021-03-04 — — WO disclosed
US-20210054009-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2021-02-25 — — US disclosed
EP-3738594-A1 TARGETED THERAPEUTICS HAVING AN HSP90 LIGAND AS BINDING MOIETY Madrigal Pharmaceuticals, Inc. (US) 2020-11-18 — — EP disclosed
US-10828315-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2020-11-10 — — US disclosed
US-6617350-B2 Sulfonamides which are aspartyl protease inhibitors; well suited for inhibiting HIV-1 and HIV-2 protease activity VERTEX PHARMACEUTICALS INCORPORATED 2003-09-09 — — US disclosed
US-20030144250-A1 Triazole derivatives useful in therapy GREEN STUART (GB) 2003-07-31 — — US disclosed
US-20020198388-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-12-26 — — US disclosed
EP-0880533-B1 Triazole derivatives useful in therapy PFIZER RES & DEV (IE) 2002-06-12 — — EP disclosed
EP-1159278-A2 INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2001-12-05 — — EP disclosed
US-6319946-B1 BENZODIOXOLYLSULFONAMIDES; INHIBITING HIV-1 AND HIV-2 PROTEASE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED 2001-11-20 — — US disclosed
WO-2000047551-A2 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-08-17 — — WO disclosed
EP-0880533-A1 TRIAZOLE DERIVATIVES USEFUL IN THERAPY Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-02 — — EP disclosed
WO-1997028169-A1 TRIAZOLE DERIVATIVES USEFUL IN THERAPY PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-08-07 — — WO 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-20210054009-A1 TREPROSTINIL PRODRUGS TYMP, TK1, DCTPP1 MAOA 1353/4885MAOB 1114/4885TAAR1 1041/4885
US-20030144250-A1 Triazole derivatives useful in therapy CYP51A1, THOP1, ERG28 MAOA 716/4885MAOB 725/4885TAAR1 2637/4885
US-20210085700-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 MAOA 4547/4885MAOB 4400/4885TAAR1 3362/4885
US-20020198388-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 MAOA 3812/4885MAOB 4144/4885TAAR1 4842/4885
US-20240051979-A1 TREPROSTINIL PRODRUGS TYMP, TK1, DCTPP1 MAOA 1353/4885MAOB 1114/4885TAAR1 1041/4885
US-10828315-B2 Targeted therapeutics CDC37, HSP90AB1, HSP90B1 MAOA 4547/4885MAOB 4400/4885TAAR1 3362/4885

“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.