Sugi Predict

Sugi Predict / Compounds / SCHEMBL962097

SCHEMBL962097

SCHEMBL962097

O=C(O)Cc1ccc(C#CCCO)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.62
▸ FFAR4 Q5NUL3 5/20 0.51
▸ CA2 P00918 1/20 0.47
▸ CAMK2A Q9UQM7 1/20 0.47
▸ AKR1B1 P15121 1/20 0.45
▸ ABCC4 O15439 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PTPRC P08575 1/20 0.43
▸ PTPRG P23470 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL15522548 0.86 FFAR1 (0.69) FFAR1FFAR4CA2CAMK2AAKR1B1
SCHEMBL16050106 0.81 FFAR1 (0.77) FFAR1FFAR4AKR1B1ABCC4LMNA
SCHEMBL7042002 0.80 CYP4F2 (0.58) FFAR1FFAR4LMNAGAAHTT
SCHEMBL9672085 0.80 HRH3 (0.49) FFAR1FFAR4LMNAPTPRCPTPRG
SCHEMBL25456552 0.79 FFAR1 (0.74) FFAR1FFAR4MMP2MMP12ALDH1A1
SCHEMBL31502360 0.79 FFAR1 (0.55) FFAR1FFAR4CA2CAMK2AAKR1B1
SCHEMBL5015429 0.79 FFAR1 (0.74) FFAR1FFAR4CA2CAMK2AAKR1B1
SCHEMBL23664450 0.77 FFAR1 (0.71) FFAR1FFAR4CA2CAMK2AAKR1B1
SCHEMBL11131726 0.77 FFAR1 (1.00) FFAR1FFAR4CA2CAMK2AAKR1B1
SCHEMBL240565 0.76 FFAR1 (0.70) FFAR1FFAR4CA2CAMK2AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3012254-B1 BIPHENYL DERIVATIVE AND ITS USE FOR TREATING PULMONARY DISORDERS THERAVANCE RESPIRATORY CO LLC (US) 2017-05-17 — — EP disclosed
US-8969571-B2 Biphenyl derivatives THERAVANCE RESPIRATORY COMPANY, LLC (US) 2015-03-03 — — US disclosed
US-20140235864-A1 BIPHENYL DERIVATIVES THERAVANCE, INC. (US) 2014-08-21 — — US disclosed
US-20130150404-A1 BIPHENYL DERIVATIVES THERAVANCE, INC. (US) 2013-06-13 — — US disclosed
US-8247564-B2 Compounds having BETA2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2012-08-21 — — US disclosed
US-8008278-B2 Diarylmethyl and related compounds THERAVANCE, INC. (US) 2011-08-30 — — US disclosed
US-7893256-B2 Azabicycloalkane compounds THERAVANCE, INC. (US) 2011-02-22 — — US disclosed
US-20110034694-A1 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2011-02-10 — — US disclosed
US-7879879-B2 Biphenyl derivatives THERAVANCE, INC. (US) 2011-02-01 — — US disclosed
US-20110015152-A1 DIARYLMETHYL AND RELATED COMPOUNDS THERAVANCE, INC. (US) 2011-01-20 — — US disclosed
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2004-08-26 — — US disclosed
EP-1040102-A4 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-11-27 — — EP disclosed
EP-1194146-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-07-31 — — EP disclosed
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 — — US disclosed
EP-1194146-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 — — EP disclosed
US-6200998-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS; ANTICHOLESTEROL, ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. 2001-03-13 — — US disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 — — WO disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 — — EP disclosed
US-6008237-A POTENT AGONISTS OF PEROXIDSOME PROLIFERATOR ACTIVATED RECEPTOR; FOR CONTROLLING OR PREVENTING OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO., INC. (US) 1999-12-28 — — US disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 — — 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-20140235864-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 FFAR1 71/4885FFAR4 176/4885CA2 1756/4885
US-20110015152-A1 DIARYLMETHYL AND RELATED COMPOUNDS ADRB2, ADRB1, ADRA2B FFAR1 136/4885FFAR4 306/4885CA2 1041/4885
US-20130150404-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 FFAR1 71/4885FFAR4 175/4885CA2 1780/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B FFAR1 117/4885FFAR4 321/4885CA2 1883/4885
US-20110034694-A1 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ADRA2B, ADRB2, ADRB1 FFAR1 168/4885FFAR4 297/4885CA2 1115/4885

“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.