SCHEMBL648919

SCHEMBL648919

COc1cc(C=C2SC(=O)N(CCn3cncn3)C2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 13/20 0.58
ESRRB O95718 1/20 0.58
ESR1 P03372 1/20 0.58
ESRRG P62508 1/20 0.58
ESR2 Q92731 1/20 0.58
VHL P40337 1/20 0.45
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL648917 1.00 ESRRA (0.58) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4403335 0.90 ESRRA (0.45) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4401164 0.89 NPSR1 (0.51) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648904 0.88 ESRRA (0.58) ESRRAESRRBESR1ESRRGESR2
SCHEMBL651323 0.88 ESRRA (0.58) ESRRAESRRBESR1ESRRGESR2
SCHEMBL649112 0.87 ESRRA (0.58) ESRRAESRRBESR1ESRRGESR2
SCHEMBL649113 0.87 ESRRA (0.58) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648616 0.86 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648615 0.86 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL26508835 0.85 ESRRA (0.68) ESRRAESRRBESR1ESRRGESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015157158-A1 SYSTEMS AND METHODS FOR ACCELERATING PRODUCTION OF VISCOUS HYDROCARBONS IN A SUBTERRANEAN RESERVOIR WITH CHEMICAL AGENTS THAT LOWER WATER-OIL INTERFACIAL TENSION REES ANDREW C (US) 2015-10-15 WO claimed
WO-2015157156-A1 SYSTEMS AND METHODS FOR ACCELERATING PRODUCTION OF VISCOUS HYDROCARBONS IN A SUBTERRANEAN RESERVOIR WITH EMULSIONS COMPRISING CHEMICAL AGENTS FU XUEBING (US) 2015-10-15 WO claimed
US-20140302087-A1 MANUFACTURE OF VACCINES THAT CONTAIN BOTH HEPATITIS B VIRUS SURFACE ANTIGEN AND SURFACTANT NOVARTIS VACCINES AND DIAGNOSTICS, SRL (IT) 2014-10-09 US claimed
US-8119669-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-21 US claimed
EP-2132188-B1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-14 EP claimed
US-20100167340-A1 METHOD TO PRODUCE A RECEPTOR CHIP USING BIOTINYLATED PROTEIN NATIONAL FOOD RESEARCH INSTITUTE (JP) 2010-07-01 US claimed
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US claimed
WO-2006096727-A2 METHODS FOR DETECTING INTEGRATED DNA CELLAY LLC (US) 2006-09-14 WO claimed
US-6852833-B1 Artificial chaperon kit DIRECTOR OF NATIONAL FOOD RESEARCH INSTITUTE, MINISTRY OF AGRICULTURE, FORESTRY AND FISHERIES (JP) 2005-02-08 US claimed
US-20040209294-A1 Method to produce a receptor chip using biotinylated protein NATIONAL FOOD RESEARCH INSTITUTE (JP) 2004-10-21 US claimed
WO-1999061473-A1 METHOD FOR PURIFICATION OF BORRELIA LIPOPROTEIN OSPA SMITHKLINE BEECHAM BIOLOGICALS S.A. (BE) 1999-12-02 WO claimed
EP-0750678-B1 NOVEL METHOD FOR THE CONDITIONING OF LIQUID SAMPLES FOSS ELECTRIC AS (DK) 1999-09-08 EP claimed
WO-1998045311-A1 RNA ISOLATION REAGENT AND METHODS LIFE TECHNOLOGIES, INC. (US) 1998-10-15 WO claimed
US-5798221-A Method for the conditioning of liquid samples FOSS ELECTRIC A/S (DK) 1998-08-25 US claimed
US-5690942-A SQUALENE, LECITHIN, SURFACTANT AMERICAN HOME PRODUCTS CORPORATION (US) 1997-11-25 US claimed
US-5577999-A Orthopaedic supporter kit ALCARE, CO. LTD. (JP) 1996-11-26 US claimed
EP-0270503-B1 UTILIZATION OF BROMURE D'OTILONIUM (DCI) FOR TOPIC APPLICATION IN THE GASTROINTESTINAL TRACT AND RELATIVE PHARMACEUTICAL FORMULATION APPROPRIATE FOR SUCH USE A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1993-09-15 EP claimed
EP-0219295-A2 Process for producing human growth hormone NIHON CHEMICAL RESEARCH KABUSHIKI KAISHA also known as JCR PHARMACEUTICALS CO., LTD (JP) 1987-04-22 EP claimed
US-4565547-A FATTY ACID, AMINE OR AMMONIA, ANIONIC SURFACTANT TOYOTO JIDOSHA KABUSHIKI KAISHA (JP) 1986-01-21 US claimed
US-4543253-A ANTITUMOR YAMAMURA YUICHI (JP) 1985-09-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG ESRRA 2/4885ESRRB 4/4885ESR1 7/4885

“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.