Sugi Predict

Sugi Predict / Compounds / SCHEMBL1373247

SCHEMBL1373247

SCHEMBL1373247

CCCCC(=O)C(Cc1ccc(-c2ccccc2C#N)cc1F)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R2 Q9NPC1 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HIF1A Q16665 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ MME P08473 1/20 0.36
▸ BDKRB1 P46663 10/20 0.36
▸ AR P10275 1/20 0.36
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35

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
SCHEMBL1370381 0.89 TSHR (0.40) TSHRHIF1AALOX5APFEN1GRIA2
SCHEMBL1369868 0.87 ALOX5AP (0.42) LTB4R2HIF1AALOX5APFEN1GRIA2
SCHEMBL633444 0.84 MME (0.48) LTB4R2TSHRGRIA2GRIA4FFAR1
SCHEMBL1371803 0.82 TSHR (0.39) TSHRFFAR1MME
SCHEMBL9948441 0.82 TSHR (0.41) TSHRHIF1AGRIA2GRIA4FFAR1
SCHEMBL1371403 0.81 MME (0.48) TSHRGRIA2GRIA4FFAR1MME
SCHEMBL9846013 0.81 TSHR (0.36) LTB4R2TSHRGRIA2GRIA4FFAR1
SCHEMBL1891097 0.78 MME (0.50) TSHRGRIA2GRIA4FFAR1MME
SCHEMBL1372453 0.76 AGTR1 (0.45) TSHRHIF1AGRIA2GRIA4AR
SCHEMBL1895025 0.76 MME (0.46) LTB4R2TSHRGRIA2GRIA4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115136-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 — — US disclosed
US-8921379-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 — — US disclosed
US-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-13 — — US disclosed
US-8592431-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 — — US disclosed
EP-2384327-B1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-07-31 — — EP disclosed
US-8283353-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-09 — — US disclosed
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-12-01 — — US disclosed
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-11-24 — — US disclosed
EP-2384327-A1 FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-11-09 — — EP disclosed
US-7998968-B2 Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-16 — — US disclosed
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 — — WO disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 — — US disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 — — US disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 — — US disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 — — EP disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 — — US disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 — — US disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 — — US disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 — — WO disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 — — 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 (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-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 LTB4R2 345/4885TSHR 542/4885HIF1A 1958/4885
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 LTB4R2 345/4885TSHR 542/4885HIF1A 1958/4885
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 LTB4R2 345/4885TSHR 542/4885HIF1A 1958/4885
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C3AR1, C1S LTB4R2 284/4885TSHR 157/4885HIF1A 1193/4885
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 LTB4R2 344/4885TSHR 173/4885HIF1A 1445/4885

“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.