SCHEMBL2139752

SCHEMBL2139752

Cc1ccc(C(F)(F)F)c(CC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
RXRA P19793 4/20 0.47
RXRB P28702 4/20 0.47
RXRG P48443 4/20 0.47
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS2 P35354 6/20 0.44
ABCB11 O95342 1/20 0.43
PTGS1 P23219 1/20 0.43
PPARG P37231 1/20 0.43
NR1I3 Q14994 1/20 0.43
POLQ O75417 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AGBL2 Q5U5Z8 1/20 0.41

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
SCHEMBL5539801 0.86 SRC (0.54) SRCRXRARXRBRXRGMAPT
SCHEMBL28214649 0.85 ICMT (0.40) RXRARXRBRXRGMAPTSMN1; SMN2
SCHEMBL5574328 0.81 CES2 (0.53) RXRARXRBRXRGPOLQKDM4E
SCHEMBL154096 0.81 RXRA (0.49) RXRARXRBRXRGPTGS2PPARG
SCHEMBL13451147 0.80 AR (0.38) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL671103 0.79 POLQ (0.48) RXRARXRBRXRGMAPTPTGS2
SCHEMBL12326734 0.78 KIF11 (0.40) MAPTSMN1; SMN2POLQKDM4EMEN1
SCHEMBL15607696 0.77 AMY1A (0.42) SMN1; SMN2
SCHEMBL12258207 0.77 SRC (0.65) SRCRXRARXRBRXRGMAPT
SCHEMBL28804467 0.77 SRC (0.46) SRCRXRARXRBRXRGPTGS2

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-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
CN-102083839-A Compound (I) ASTRAZENECA AB 2011-06-01 CN disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 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 (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-20120322788-A1 Compouds PKD1, SBDS, ABCB11 SRC 2446/4885RXRA 1845/4885RXRB 1847/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 SRC 2560/4885RXRA 1568/4885RXRB 1722/4885

“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.