Sugi Predict

Sugi Predict / Compounds / SCHEMBL647004

SCHEMBL647004

SCHEMBL647004

O=C(Cl)OOCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.51
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HTR2B P41595 3/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ DRD2 P14416 4/20 0.39
▸ DRD4 P21917 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ HSP90AA1 P07900 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SRD5A2 P31213 1/20 0.34
▸ HTR2C P28335 2/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ADRA1A P35348 1/20 0.33

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
SCHEMBL6535107 0.89 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL6535116 0.87 PNMT (0.53) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL7036967 0.86 PNMT (0.55) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL29848427 0.86 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL135489 0.86 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL29368791 0.86 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
Benzene SCHEMBL28021305 0.84 PNMT (0.53) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL27921405 0.81 PNMT (0.49) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL7000069 0.81 PNMT (0.51) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL7406401 0.80 PNMT (0.45) PNMTNPC1RAB9AHTR2BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11679089-B2 Methods of manufacturing amino acid compositions AXCELLA HEALTH INC. (US) 2023-06-20 — — US disclosed
EP-4040993-A1 REDUCED VOLUME FORMULATIONS INCLUDING AMINO ACID ENTITIES Axcella Health Inc. (US) 2022-08-17 — — EP disclosed
CN-114845572-A Reduced volume formulations comprising amino acid entities 胺细拉健康公司 2022-08-02 — — CN disclosed
CN-112823018-A Process for preparing amino acid compositions 胺细拉健康公司 2021-05-18 — — CN disclosed
US-20210128466-A1 REDUCED VOLUME FORMULATIONS INCLUDING AMINO ACID ENTITIES AXCELLA HEALTH INC. 2021-05-06 — — US disclosed
EP-3810168-A1 METHODS OF MANUFACTURING AMINO ACID COMPOSITIONS Axcella Health Inc. (US) 2021-04-28 — — EP disclosed
WO-2021072259-A1 REDUCED VOLUME FORMULATIONS INCLUDING AMINO ACID ENTITIES AXCELLA HEALTH INC. (US) 2021-04-15 — — WO disclosed
US-10426850-B2 Collagen mimetic peptides for targeting collagen strands for in vitro and in vivo imaging and therapeutic use THE JOHNS HOPKINS UNIVERSITY (US) 2019-10-01 — — US disclosed
US-10017728-B2 Methods for making ribosomes NORTHWESTERN UNIVERSITY (US) 2018-07-10 — — US disclosed
US-20160083688-A1 IMPROVED METHODS FOR MAKING RIBOSOMES NORTHWESTERN UNIVERSITY (US) 2016-03-24 — — US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 — — US disclosed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 — — EP disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 — — US disclosed
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 — — US disclosed
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2003-12-04 — — US disclosed
US-6423840-B1 FORMING N-ACYLAMINO COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2002-07-23 — — US disclosed
US-6258948-B1 AN N-ACYLAMINO COMPOUND; ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED 2001-07-10 — — US disclosed
US-6204261-B1 Inhibitors of interleukin-1β Converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-03-20 — — US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 — — EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 — — 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 (3 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-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 PNMT 4126/4885NPC1 963/4885RAB9A 3323/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 PNMT 3954/4885NPC1 1045/4885RAB9A 3401/4885
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, APAF1, IL1B PNMT 3822/4885NPC1 1043/4885RAB9A 3588/4885

“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.