SCHEMBL2076801

SCHEMBL2076801

CC(C)(C)C(=O)Nc1cnccc1C(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ROCK2 O75116 1/20 0.43
KLRK1 P26718 2/20 0.41
MICA Q29983 2/20 0.41
RAET1L Q5VY80 2/20 0.41
TRPV1 Q8NER1 5/20 0.41
KCNA5 P22460 1/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PNMT P11086 1/20 0.40
CSF1R P07333 2/20 0.39
BRAF P15056 1/20 0.39
NPY2R P49146 1/20 0.39

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
SCHEMBL1643132 0.87 ALDH1A1 (0.48) ALDH1A1L3MBTL1ROCK2TSHRNPY2R
SCHEMBL2079331 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1ROCK2TRPV1TSHR
SCHEMBL1644164 0.85 ALDH1A1 (0.47) ALDH1A1L3MBTL1ROCK2TRPV1TSHR
SCHEMBL1642548 0.84 TSHR (0.46) ALDH1A1L3MBTL1TRPV1TSHR
SCHEMBL2081422 0.76 TSHR (0.49) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL1643897 0.74 KMT2A (0.40) ALDH1A1L3MBTL1TSHRKMT2ACES2
SCHEMBL9846978 0.74 TSHR (0.46) ALDH1A1L3MBTL1TRPV1TSHR
SCHEMBL1642398 0.74 TSHR (0.44) ALDH1A1ROCK2TSHRMEN1KMT2A
SCHEMBL1643191 0.73 KDM4E (0.46) ALDH1A1TSHRMEN1KMT2A
SCHEMBL1642078 0.72 NR3C2 (0.38) ALDH1A1L3MBTL1TRPV1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906530-B2 1,7-naphthyridine derivatives as p38 MAP kinase inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2011-03-15 US disclosed
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-09 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 (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-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 ALDH1A1 2099/4885L3MBTL1 4231/4885ROCK2 478/4885

“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.