SCHEMBL5146085

SCHEMBL5146085

CCCCCCCCC(F)(F)C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.60
LPAR1 Q92633 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX1 P07099 2/20 0.44
FAAH O00519 7/20 0.44
CES1 P23141 5/20 0.44
CYP1A2 P05177 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL11288151 1.00 CES2 (0.60) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL11795301 1.00 CES2 (0.60) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL11534492 0.98 CES2 (0.57) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL10970451 0.92 CES2 (0.48) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL21802245 0.84 CES2 (0.66) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL28327210 0.84 CES2 (0.66) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL14533801 0.83 CES2 (0.38) CES2MEN1KMT2AEPHX1FAAH
SCHEMBL23578179 0.82 CES2 (0.58) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL20654753 0.82 CES2 (0.58) CES2LPAR1LPAR3MEN1KMT2A
SCHEMBL20654846 0.82 CES2 (0.58) CES2LPAR1LPAR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060643-A1 Autoinducer compounds MONTANA STATE UNIVERSITY (US) 2007-03-15 US disclosed
US-7078435-B2 Autoinducer compounds MONTANA STATE UNIVERSITY (US) 2006-07-18 US disclosed
EP-1487269-A4 AUTOINDUCER COMPOUNDS UNIV MONTANA STATE (US) 2005-12-21 EP disclosed
EP-1487269-A1 AUTOINDUCER COMPOUNDS Montana State University-Bozeman (US) 2004-12-22 EP disclosed
US-20040254235-A1 Autoinducer compounds NATIONAL SCIENCE FOUNDATION 2004-12-16 US disclosed
US-6756404-B2 PREVENTION INFECTIONS THE RESEARCH & DEVELOPMENT INSTITUTE, INC. 2004-06-29 US disclosed
WO-2003077653-A1 AUTOINDUCER COMPOUNDS MONTANA STATE UNIVERSITY-BOZEMAN (US) 2003-09-25 WO disclosed
US-20030013755-A1 Autoinducer compounds MONTANA STATE UNIVERSITY 2003-01-16 US disclosed
EP-1087957-A4 AUTOINDUCER COMPOUNDS UNIV MONTANA RES DEV INST (US) 2003-01-02 EP disclosed
US-6337347-B1 ENHANCE GENE EXPRESSION IN A WIDE VARIETY OF MICROORGANISMS, THERAPEUTIC COMPOSITIONS AND THERAPEUTIC METHODS WHEREIN GENE EXPRESSION WITHIN MICROORGANISMS IS REGULATED ARE DISCLOSED. THE RESEARCH & DEVELOPMENT INSTITUTE, INC. 2002-01-08 US disclosed
EP-1087957-A1 AUTOINDUCER COMPOUNDS THE RESEARCH AND DEVELOPMENT INSTITUTE, INC (US) 2001-04-04 EP disclosed
WO-1999065889-A1 AUTOINDUCER COMPOUNDS THE RESEARCH AND DEVELOPMENT INSTITUTE (US) 1999-12-23 WO 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 (3 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-20040254235-A1 Autoinducer compounds MYC, BLVRB, MRPL21 CES2 2715/4885LPAR1 186/4885LPAR3 263/4885
US-20030013755-A1 Autoinducer compounds MYC, BLVRB, MRPL21 CES2 2715/4885LPAR1 186/4885LPAR3 263/4885
US-20070060643-A1 Autoinducer compounds MYC, BLVRB, MRPL21 CES2 2715/4885LPAR1 186/4885LPAR3 263/4885

“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.