SCHEMBL4201571

SCHEMBL4201571

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.58
AKR1C3 P42330 5/20 0.58
AKR1C2 P52895 5/20 0.58
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
CYP2C9 P11712 2/20 0.49
CYP3A4 P08684 1/20 0.49
PTGS1 P23219 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PTGS2 P35354 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
FABP2 P12104 1/20 0.47
TSHR P16473 1/20 0.47
AKR1C4 P17516 1/20 0.47
ADRA2B P18089 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2C P28335 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL8754966 1.00 APP (0.58) APPAKR1C3AKR1C2CNR1CNR2
SCHEMBL7327823 0.87 AKR1C3 (0.50) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL7326882 0.86 AKR1C3 (0.49) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL8755138 0.85 APP (0.78) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL3938352 0.85 APP (0.78) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL8811656 0.83 AKR1C3 (0.46) APPAKR1C3AKR1C2CYP2C9CYP3A4
SCHEMBL4211223 0.82 RORC (0.46) APPAKR1C3AKR1C2CYP2C9PTGS1
SCHEMBL7472692 0.80 CNR1 (0.51) APPAKR1C3AKR1C2CNR1CNR2
SCHEMBL6333306 0.79 AKR1C3 (0.48) APPAKR1C3AKR1C2CNR1CNR2
SCHEMBL10704177 0.79 APP (0.60) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8778298-B2 Isotope labeled 2-arylpropionic acid compounds and process for production of same, and molecular probe for positron emission tomography and method for imaging of cyclooxygenase and the like using same RIKEN (JP) 2014-07-15 US disclosed
WO-2014015341-A2 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION VANDERBILT UNIVERSITY (US) 2014-01-23 WO disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
EP-0979226-B1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMA (JP) 2005-11-09 EP disclosed
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 WO disclosed
US-6100260-A ((3-(1-(2-FLUORO-BIPHENYL-4-YL)-ETHYL)-ISOXAZOL-5-YLIMINO) -MORPHOLIN-4-YL-M ETHYL)-AMINE, FOR EXAMPLE; ADMINISTERING TO TREAT AUTOIMMUNE DISEASES AND INFLAMMATION SUMITOMO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-08 US 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 (2 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-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION CNR2, FAAH2, FAAH APP 2009/4885AKR1C3 729/4885AKR1C2 821/4885
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 APP 1/4885AKR1C3 570/4885AKR1C2 653/4885

“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.