SCHEMBL3938352

SCHEMBL3938352

CC(C)(C(=O)O)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.78
AKR1C3 P42330 6/20 0.71
AKR1C2 P52895 6/20 0.71
CYP2C9 P11712 2/20 0.64
CYP3A4 P08684 1/20 0.64
PTGS1 P23219 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PTGS2 P35354 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
FABP2 P12104 1/20 0.51
TSHR P16473 1/20 0.51
AKR1C4 P17516 1/20 0.51
ADRA2B P18089 1/20 0.51
CHRM3 P20309 1/20 0.51
HTR2C P28335 1/20 0.51
DRD3 P35462 1/20 0.51
AKR1C1 Q04828 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51

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
SCHEMBL8755138 1.00 APP (0.78) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL10704177 0.87 APP (0.60) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL11499580 0.87 APP (0.60) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL16024214 0.87 APP (0.64) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL7325024 0.86 APP (0.58) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL8754966 0.85 APP (0.58) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL4201571 0.85 APP (0.58) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL20516036 0.84 APP (0.57) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL31612396 0.84 APP (0.57) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL2548793 0.83 AKR1C3 (1.00) APPAKR1C3AKR1C2CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 US claimed
US-20070232589-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US claimed
US-20070232656-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US claimed
US-20070232672-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US claimed
US-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES MYRIAD GENETICS, INCORPORATED (US) 2007-04-05 US claimed
US-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MYRIAD GENETICS, INCORPORATED (US) 2007-01-18 US claimed
WO-2006020850-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO claimed
WO-2006020852-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO claimed
WO-2006020853-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO claimed
WO-2017080989-A1 (R)-FLURIPROFEN FOR THE PREVENTION AND/OR TREATMENT OF DIABETES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2017-05-18 WO disclosed
US-20150232407-A1 DRUG SUBSTANCE PREPARATIONS, PHARMACEUTICAL COMPOSITIONS AND DOSAGE FORMS COMPRISING S-(+)-FLURBIPROFEN AESICA PHARMACEUTICALS LIMITED (GB) 2015-08-20 US disclosed
US-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-07-02 US disclosed
WO-2014138343-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-12 WO disclosed
US-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
WO-2006020850-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO disclosed
US-20050288375-A1 Method and composition for treating neurodegenerative disorders MYRIAD GENETICS, INCORPORATED (US) 2005-12-29 US disclosed
EP-1587798-A2 GEMINALLY DI-SUBSTITUTED NSAID DERIVATIVES AS ABETA 42 LOWERING AGENTS Merck & Co., Inc. (US) 2005-10-26 EP disclosed
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 WO disclosed
WO-2004064771-A2 GEMINALLY DI-SUBSTITUTED NSAID DERIVATIVES AS ABETA 42 LOWERING AGENTS MERCK & CO., INC. (US) 2004-08-05 WO disclosed
EP-1201661-A1 HETEROAROMATIC RING COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-05-02 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 (10 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-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MME, AVPR1B, AVPR2 APP 2522/4885AKR1C3 813/4885AKR1C2 517/4885
US-20070232672-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT APP 21/4885AKR1C3 454/4885AKR1C2 787/4885
US-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS MMP17, NAALAD2, DNPEP APP 2291/4885AKR1C3 436/4885AKR1C2 784/4885
US-20070232589-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT APP 29/4885AKR1C3 484/4885AKR1C2 861/4885
US-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION CNR2, FAAH2, FAAH APP 2009/4885AKR1C3 729/4885AKR1C2 821/4885
US-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES PSEN2, APP, PSEN1 APP 2/4885AKR1C3 1915/4885AKR1C2 2052/4885
US-20150232407-A1 DRUG SUBSTANCE PREPARATIONS, PHARMACEUTICAL COMPOSITIONS AND DOSAGE FORMS COMPRISING S-(+)-FLURBIPROFEN CYP2F1, CYP2B6, GABBR2 APP 1378/4885AKR1C3 565/4885AKR1C2 557/4885
US-20070232656-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT APP 21/4885AKR1C3 454/4885AKR1C2 787/4885
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS SLC6A3, SLC6A2, FKBP5 APP 2500/4885AKR1C3 2969/4885AKR1C2 2443/4885
US-20050288375-A1 Method and composition for treating neurodegenerative disorders GRIN2A, GRIN2B, GRIN3A APP 8/4885AKR1C3 160/4885AKR1C2 446/4885

“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.