Sugi Predict

Sugi Predict / Compounds / SCHEMBL3458965

SCHEMBL3458965

SCHEMBL3458965

COc1ccc(CN(CCCCC(=O)O)c2cc(C)c(Br)cc2C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.42
▸ ACHE P22303 6/20 0.42
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LTB4R Q15722 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ MEP1B Q16820 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL3459748 0.91 BCHE (0.41) BCHEACHETSHRMEP1BMEN1
SCHEMBL3458892 0.86 BCHE (0.41) BCHEACHEUSP2TSHRLTB4R
SCHEMBL3458832 0.85 BCHE (0.43) BCHEACHEUSP2TSHRLTB4R
SCHEMBL3459756 0.85 BCHE (0.43) BCHEACHEUSP2TSHRLTB4R
SCHEMBL28880216 0.79 BCL2A1 (0.41) USP2TSHRFFAR1PPARGPPARD
SCHEMBL3458699 0.77 BCHE (0.40) BCHEACHEMEP1BMEN1KMT2A
SCHEMBL3460236 0.77 BCHE (0.42) BCHEACHEMEP1BMEN1KMT2A
SCHEMBL3458771 0.77 BCHE (0.42) BCHEACHEMEP1BMEN1KMT2A
SCHEMBL20570505 0.77 LTB4R2 (0.42) USP2TSHRFFAR1PPARGPPARD
SCHEMBL20151838 0.71 PPARG (0.39) BCHEACHEUSP2TSHRPPARG

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
US-20200297700-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS INC (US) 2020-09-24 — — US disclosed
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS, INC. (US) 2019-02-07 — — US disclosed
US-20160008326-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-14 — — US disclosed
US-8741943-B2 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. (US) 2014-06-03 — — US disclosed
EP-1889839-B1 Bicyclic compound, production and use as HIV inhibitors TOBIRA THERAPEUTICS INC (US) 2013-11-06 — — EP disclosed
US-8362058-B2 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. (US) 2013-01-29 — — US disclosed
US-20120232028-A1 Bicyclic Compound, Production and Use Thereof TOBIRA THERAPEUTICS, INC. (US) 2012-09-13 — — US disclosed
US-8183273-B2 8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide; HIV infectious diseases, chronic rheumatoid arthritis, autoimmune disease, allergic diseases, ischemic brain cell disease TOBIRA THERAPEUTICS, INC. (US) 2012-05-22 — — US disclosed
EP-2206702-A1 Bicyclic compound, production and use thereof Tobira Therapeutics, Inc. (US) 2010-07-14 — — EP disclosed
US-20090030032-A1 Bicyclic Compound, Production and Use Thereof TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2009-01-29 — — US disclosed
US-20080161287-A1 Bicyclic compound, production and use thereof TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2008-07-03 — — US disclosed
US-7371772-B2 Bicyclic compound, production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-13 — — US disclosed
EP-1889839-A1 Bicyclic compound, production and use as HIV inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-02-20 — — EP disclosed
US-20040259876-A1 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. 2004-12-23 — — US disclosed
EP-1423376-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 — — EP disclosed
WO-2003014105-A9 BICYCLIC COMPOUND, PRODUCTION AND USE AS HIV INHIBITORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-11-20 — — WO disclosed
WO-2003014105-A1 BICYCLIC COMPOUND, PRODUCTION AND USE AS HIV INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-20 — — 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 (7 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-20040259876-A1 Bicyclic compound, production and use thereof CCR5, CCR1, CCR2 BCHE 1675/4885ACHE 2855/4885USP2 4647/4885
US-20090030032-A1 Bicyclic Compound, Production and Use Thereof CCR5, CCR1, CCR2 BCHE 1435/4885ACHE 2248/4885USP2 4698/4885
US-20120232028-A1 Bicyclic Compound, Production and Use Thereof CCR5, CCR1, CCR2 BCHE 1435/4885ACHE 2248/4885USP2 4698/4885
US-20160008326-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 BCHE 1431/4885ACHE 2223/4885USP2 4695/4885
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 BCHE 1435/4885ACHE 2248/4885USP2 4698/4885
US-20200297700-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 BCHE 1435/4885ACHE 2248/4885USP2 4698/4885
US-20080161287-A1 Bicyclic compound, production and use thereof CCR5, CCR1, CCR2 BCHE 1435/4885ACHE 2248/4885USP2 4698/4885

“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.