Sugi Predict

Sugi Predict / Compounds / SCHEMBL1964140

SCHEMBL1964140

SCHEMBL1964140

COC(OC)C(Br)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.46
▸ KMT2A Q03164 1/20 0.43
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.35
▸ DPP4 P27487 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HRH1 P35367 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD1 P21728 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
SCHEMBL28546195 0.81 KMT2A (0.43) THRBKMT2ACES2CES1TRPA1
SCHEMBL13590015 0.76 CES2 (0.50) CES2CES1TRPA1TAAR1DPP4
SCHEMBL4456759 0.76 CES2 (0.50) CES2CES1TRPA1TAAR1DPP4
SCHEMBL10636484 0.76 L3MBTL1 (0.44) KMT2ATAAR1TSHRHTR2AHRH1
SCHEMBL14018507 0.76 AOC3 (0.47) CES2CES1
SCHEMBL10708934 0.75 THRB (0.48) THRBKMT2AEPHX1TAAR1DPP4
SCHEMBL2220602 0.75 KMT2A (0.41) THRBKMT2ACES2CES1TRPA1
SCHEMBL8349888 0.75 THRB (0.48) THRBKMT2AEPHX1TAAR1DPP4
Hydrochloric Acid SCHEMBL11777006 0.73 KMT2A (0.40) THRBKMT2ACES2CES1TRPA1
SCHEMBL21821339 0.73 THRB (0.52) THRBKMT2AEPHX1TAAR1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516192-A Antagonists of the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LAB 2012-06-27 — — CN disclosed
EP-1885704-B1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LAB (US) 2011-09-28 — — EP disclosed
US-20110144057-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF ABBOTT LABORATORIES (US) 2011-06-16 — — US disclosed
US-7902236-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBOTT LABORATORIES (US) 2011-03-08 — — US disclosed
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF ABBOTT LABORATORIES (US) 2010-01-14 — — US disclosed
US-7504520-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBOTT LABORATORIES (US) 2009-03-17 — — US disclosed
CN-101248052-A Vanilloid receptor subtype 1(VR1) antagonists and uses thereof ABBOTT LAB (US) 2008-08-20 — — CN disclosed
EP-1885704-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF Abbott Laboratories (US) 2008-02-13 — — EP disclosed
WO-2006135383-A2 INDAZOLES MYRIAD GENETICS, INC. (US) 2006-12-21 — — WO disclosed
US-20060281799-A1 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBVIE INC. 2006-12-14 — — US disclosed
US-6586424-B2 Anticancer agents; anticholesterol agents MERCK & CO., INC. 2003-07-01 — — US disclosed
US-20030064996-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2003-04-03 — — US disclosed
CN-1390215-A Tyrosine kinase inhibitors MERCK & CO INC (US) 2003-01-08 — — CN disclosed
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 — — EP disclosed
US-20020147203-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2002-10-10 — — US disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 — — EP disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 — — WO disclosed
US-5721248-A CALCIUM AGONISTS; TREATING CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-24 — — US disclosed
US-5545646-A CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 — — US disclosed
EP-0630895-A1 4-Bicyclic substituted dihydropyridines, process for their preparation and their use in medicaments BAYER AG (DE) 1994-12-28 — — EP 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-20020147203-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 THRB 825/4885KMT2A 3298/4885CES2 4757/4885
US-20060281799-A1 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof TRPV1, TMEM109, CACNA1E THRB 1193/4885KMT2A 3658/4885CES2 2531/4885
US-20110144057-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E THRB 1193/4885KMT2A 3658/4885CES2 2531/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 THRB 825/4885KMT2A 3298/4885CES2 4757/4885
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E THRB 1193/4885KMT2A 3658/4885CES2 2531/4885

“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.