Sugi Predict

Sugi Predict / Compounds / SCHEMBL3458675

SCHEMBL3458675

SCHEMBL3458675

COC(=O)C1=Cc2cc(Br)ccc2NCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ CA12 O43570 7/20 0.33
▸ CA9 Q16790 7/20 0.33
▸ F2 P00734 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CA2 P00918 2/20 0.32
▸ CTSL P07711 1/20 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
SCHEMBL3458674 1.00 NR4A2 (0.36) NR4A2GAAHSD17B10CA12CA9
SCHEMBL3459411 0.96 GAA (0.38) NR4A2GAACA12CA9F2
SCHEMBL3459409 0.96 GAA (0.38) NR4A2GAACA12CA9F2
SCHEMBL6341328 0.91 NR4A2 (0.38) NR4A2CA12CA9F2CA2
SCHEMBL6614933 0.81 MAPT (0.40) GAAHSD17B10CA12CA9F2
SCHEMBL5204894 0.78 NR4A2 (0.37) NR4A2GAACA12CA9MAPT
SCHEMBL5205301 0.78 GABRA1 (0.39) GAAKDM4EMAPT
SCHEMBL24376048 0.76 CTSL (0.32) GAAHSD17B10CA12CA9KDM4E
SCHEMBL10529566 0.74 HSD17B3 (0.38) NR4A2CA12CA9MAPTCA2
SCHEMBL6349353 0.74 KDM4E (0.38) KDM4EMAPTCTSL

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 NR4A2 289/4885GAA 4856/4885HSD17B10 2443/4885
US-20090030032-A1 Bicyclic Compound, Production and Use Thereof CCR5, CCR1, CCR2 NR4A2 265/4885GAA 4845/4885HSD17B10 2532/4885
US-20120232028-A1 Bicyclic Compound, Production and Use Thereof CCR5, CCR1, CCR2 NR4A2 265/4885GAA 4845/4885HSD17B10 2532/4885
US-20160008326-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 NR4A2 262/4885GAA 4847/4885HSD17B10 2514/4885
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 NR4A2 265/4885GAA 4845/4885HSD17B10 2532/4885
US-20200297700-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 NR4A2 265/4885GAA 4845/4885HSD17B10 2532/4885
US-20080161287-A1 Bicyclic compound, production and use thereof CCR5, CCR1, CCR2 NR4A2 265/4885GAA 4845/4885HSD17B10 2532/4885

“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.