SCHEMBL4201648

SCHEMBL4201648

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
AKR1C3 P42330 6/20 0.50
AKR1C2 P52895 6/20 0.50
PTGS1 P23219 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PTGS2 P35354 2/20 0.47
CYP2C9 P11712 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
AKR1C1 Q04828 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
CYP1A2 P05177 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
SCHEMBL10760719 0.87 APP (0.53) APPAKR1C3AKR1C2PTGS1MEN1
SCHEMBL8817680 0.87 APP (0.53) APPAKR1C3AKR1C2PTGS1MEN1
SCHEMBL4205280 0.84 APP (0.52) APPAKR1C3AKR1C2PTGS1MEN1
SCHEMBL10979841 0.84 APP (0.50) APPAKR1C3AKR1C2PTGS1MEN1
SCHEMBL8755138 0.82 APP (0.78) APPAKR1C3AKR1C2PTGS1MEN1
SCHEMBL10704177 0.82 APP (0.60) APPAKR1C3AKR1C2PTGS1MEN1
SCHEMBL11499580 0.82 APP (0.60) APPAKR1C3AKR1C2PTGS1MEN1
SCHEMBL3938352 0.82 APP (0.78) APPAKR1C3AKR1C2PTGS1MEN1
SCHEMBL11038666 0.81 APP (0.47) APPAKR1C3AKR1C2PTGS1MEN1
SCHEMBL7325024 0.81 APP (0.58) APPAKR1C3AKR1C2PTGS1MEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4324904-A COMPOUND USEFUL IN MAKING FLURBIPROFEN THE UPJOHN COMPANY (US) 1982-04-13 US claimed
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-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
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 WO disclosed
CN-1138764-C Isoxazole derivatives ס����ҩ��ʽ���� 2004-02-18 CN disclosed
CN-1252794-A Isoxazole derivatives SUMITOMO PHARMA (JP) 2000-05-10 CN disclosed
US-5180731-A Treatment of autoimmune diseases, lipoxygenase inhibitor SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-01-19 US disclosed
US-5066666-A Treatment Of Autoimmune Diseases, E.G. Rheumatoid Arthritis SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-11-19 US disclosed
US-4914112-A TREATMENT OF AUTOIMMUNE DISEASES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-04-03 US disclosed
EP-0123629-B1 PREPARATION OF BIARYL COMPOUNDS ETHYL CORPORATION (US) 1988-08-17 EP disclosed
EP-0248399-A1 Aminoazole derivatives and their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-12-09 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 (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.