Sugi Predict

Sugi Predict / Compounds / SCHEMBL161339

SCHEMBL161339

SCHEMBL161339

CC(=O)OCc1c(Br)cccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ CA2 P00918 1/20 0.49
▸ HSD17B10 Q99714 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ PKM P14618 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ RAD52 P43351 1/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ IDH1 O75874 1/20 0.35

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
SCHEMBL17651718 0.88 ALDH1A1 (0.44) ALDH1A1CA2HSD17B10KDM4ECYP1A2
SCHEMBL13547729 0.88 CA2 (0.46) ALDH1A1CA2HSD17B10KDM4ECYP1A2
SCHEMBL28920327 0.84 ALDH1A1 (0.49) ALDH1A1CA2CYP1A2CYP2C19KMT2A
SCHEMBL159208 0.82 ALDH1A1 (0.42) ALDH1A1CA2POLBMAPTLMNA
SCHEMBL30714282 0.81 RAD52 (0.53) ALDH1A1CA2CYP1A2PKMKMT2A
SCHEMBL607429 0.79 ALDH1A1 (0.47) ALDH1A1CA2HSD17B10KDM4ECYP1A2
SCHEMBL777869 0.78 MAPT (0.57) ALDH1A1CYP1A2CYP2C19PKMKMT2A
SCHEMBL31554190 0.78 MAPT (0.57) ALDH1A1CYP1A2CYP2C19PKMKMT2A
SCHEMBL29188155 0.78 CA2 (0.47) ALDH1A1CA2HSD17B10KDM4EPKM
SCHEMBL16752332 0.78 ALDH1A1 (0.46) ALDH1A1CA2HSD17B10KDM4EPKM

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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818724-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-11-13 — — CN disclosed
CN-107253963-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-04-14 — — CN disclosed
CN-110818724-A Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-02-21 — — CN disclosed
EP-3280419-B1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
EP-3280419-B1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
CN-106220614-B Pyridone/pyrazinones, preparation method and application method 吉利德康涅狄格有限公司 2019-07-16 — — CN disclosed
US-10344040-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2019-07-09 — — US disclosed
US-10246457-B2 Indazole and azaindazole Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2019-04-02 — — US disclosed
US-10053469-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2018-08-21 — — US disclosed
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2018-06-28 — — US disclosed
WO-2010000633-A1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-07 — — WO disclosed
WO-2010000633-A1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-07 — — WO disclosed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 — — US disclosed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 — — US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 — — US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 — — US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 — — US disclosed
WO-2009098144-A1 NOVEL PYRIDINONES AND PYRIDAZINONES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 — — WO disclosed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 — — WO disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 — — 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 (7 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-10344040-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK ALDH1A1 3206/4885CA2 4748/4885HSD17B10 2517/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB ALDH1A1 373/4885CA2 2406/4885HSD17B10 1412/4885
US-10246457-B2 Indazole and azaindazole Btk inhibitors BTK, SYK, ABL1 ALDH1A1 3718/4885CA2 3360/4885HSD17B10 4403/4885
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4398/4885CA2 2437/4885HSD17B10 4774/4885
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK ALDH1A1 3206/4885CA2 4748/4885HSD17B10 2517/4885
US-10053469-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK ALDH1A1 3206/4885CA2 4748/4885HSD17B10 2517/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN ALDH1A1 4646/4885CA2 3576/4885HSD17B10 4698/4885

“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.