Sugi Predict

Sugi Predict / Compounds / SCHEMBL2174539

SCHEMBL2174539

SCHEMBL2174539

COC(=O)Cc1c(F)c(O)c2cc(F)ccc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CASP3 P42574 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ GLA P06280 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HK1 P19367 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ PRNP P04156 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GFER P55789 1/20 0.34

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
SCHEMBL2171127 0.77 ALDH1A1 (0.41) GAAL3MBTL1CASP3HSP90AB1ALDH1A1
SCHEMBL2171085 0.73 CASP3 (0.39) GAAL3MBTL1CASP3HSP90AB1ALDH1A1
SCHEMBL8241645 0.72 MTNR1A (0.47) L3MBTL1KDM4ELMNATSHRPARP1
SCHEMBL2172316 0.71 ALDH1A1 (0.43) GAAL3MBTL1CASP3HSP90AB1ALDH1A1
SCHEMBL2174233 0.69 HSP90AB1 (0.49) GAAL3MBTL1CASP3HSP90AB1ALDH1A1
SCHEMBL11470610 0.69 ALDH1A1 (0.42) GAAL3MBTL1CASP3CA12CA9
SCHEMBL8300361 0.68 KMT2A (0.44) L3MBTL1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL10268112 0.68 HSP90AB1 (0.37) GAAL3MBTL1HSP90AB1KDM4EHSD17B10
SCHEMBL30883124 0.68 P2RX7 (0.45) GAAL3MBTL1HSP90AB1ALDH1A1KDM4E
SCHEMBL19925456 0.68 SMN1; SMN2 (0.42) GAAL3MBTL1HSP90AB1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 — — US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 — — US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 — — US disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 — — EP disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 — — EP disclosed
EP-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 — — EP disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 — — WO disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — US disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 — — WO disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — US disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — 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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 GAA 671/4885L3MBTL1 4726/4885CASP3 4683/4885

“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.