SCHEMBL2934388

SCHEMBL2934388

CCOC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c2ccc(-c3ccc(F)cc3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CHRNA7 P36544 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
BID P55957 1/20 0.40
BCL2A1 Q16548 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
CASP3 P42574 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL2935754 0.91 P2RY14 (0.47) KDM4EKMT2AMAPTMEN1
SCHEMBL2933836 0.90 GSK3B (0.39) PDK2BCL2L1
SCHEMBL2929310 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL13057653 0.86 RAB9A (0.41) ALDH1A1L3MBTL1KDM4EKMT2AHPGD
SCHEMBL14994700 0.82 RAB9A (0.46) ALDH1A1L3MBTL1KDM4EKMT2AHPGD
SCHEMBL16616462 0.81 CHRNA7 (0.41) ALDH1A1L3MBTL1KMT2ACHRNA7MAPT
SCHEMBL13082047 0.80 TDP1 (0.40) L3MBTL1HSD17B10LMNANPC1RAB9A
SCHEMBL2931976 0.79 BCL2L1 (0.49) ALDH1A1L3MBTL1KDM4EKMT2ACHRNA7
SCHEMBL16616434 0.78 CHRNA7 (0.40) ALDH1A1L3MBTL1KDM4EKMT2AHPGD
SCHEMBL16616338 0.78 MAPT (0.40) ALDH1A1L3MBTL1KDM4EKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
EP-2229373-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY Merck Frosst Canada Ltd. (CA) 2010-09-22 EP disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 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 (1 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 ALDH1A1 2522/4885L3MBTL1 4589/4885KDM4E 4801/4885

“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.