SCHEMBL12470442

SCHEMBL12470442

COC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 3/20 0.34
UCHL1 P09936 1/20 0.33
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
EGFR P00533 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL16113392 0.94 UCHL1 (0.33) PKMKDM4EALDH1A1UCHL1HPGD
SCHEMBL31394282 0.93 KDM4E (0.35) KDM4EALDH1A1UCHL1HPGDTSHR
SCHEMBL16005015 0.90 KDM4E (0.35) KDM4EALDH1A1UCHL1HPGDTSHR
SCHEMBL23240469 0.89 CA1 (0.40) KDM4EALDH1A1UCHL1HPGDTSHR
SCHEMBL12470552 0.89 UCHL1 (0.34) PKMKDM4EALDH1A1UCHL1HPGD
SCHEMBL22140531 0.87 KDM4E (0.47) KDM4EALDH1A1UCHL1HPGDTSHR
SCHEMBL31024683 0.87 KDM4E (0.32) PKMKDM4EALDH1A1UCHL1HPGD
SCHEMBL25344076 0.87 KDM4E (0.32) PKMKDM4EALDH1A1UCHL1HPGD
SCHEMBL23291792 0.87 GAA (0.38) PKMALDH1A1UCHL1HPGDTSHR
SCHEMBL29891154 0.87 GAA (0.40) KDM4EALDH1A1UCHL1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654852-B2 Antibiotics and methods of using same THE BROAD INSTITUTE, INC. (US) 2020-05-19 US disclosed
US-20190240203-A1 NOVEL ANTIBIOTICS AND METHODS OF USING SAME THE BROAD INSTITUTE, INC. (US) 2019-08-08 US disclosed
WO-2018075871-A1 NOVEL ANTIBIOTICS AND METHODS OF USING SAME THE BROAD INSTITUTE, INC. (US) 2018-04-26 WO disclosed
US-9884043-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-9884043-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-9884043-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20170340610-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2017-11-30 US disclosed
US-20170340610-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2017-11-30 US disclosed
US-20170340610-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2017-11-30 US disclosed
EP-2683693-B1 RORGAMMAT INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-20150297566-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2015-10-22 US disclosed
US-9095583-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-04 US disclosed
US-9095583-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-04 US disclosed
US-9095583-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-04 US disclosed
US-20140038942-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-02-06 US disclosed
US-20140038942-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-02-06 US disclosed
US-20140038942-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-02-06 US disclosed
EP-2683693-A1 RORGAMMAT INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-01-15 EP disclosed
WO-2012106995-A1 RORGAMMAT INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-08-16 WO disclosed
WO-2012106995-A1 RORGAMMAT INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-08-16 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 (5 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-20190240203-A1 NOVEL ANTIBIOTICS AND METHODS OF USING SAME NRDC, TLR6, PEPD PKM 2758/4885KDM4E 3308/4885ALDH1A1 2254/4885
US-10654852-B2 Antibiotics and methods of using same NRDC, PEPD, TREH PKM 2318/4885KDM4E 2701/4885ALDH1A1 1694/4885
US-20150297566-A1 RORgammaT INHIBITORS RORB, RORC, RORA PKM 4021/4885KDM4E 2851/4885ALDH1A1 1003/4885
US-20170340610-A1 RORgammaT INHIBITORS RORB, RORC, RORA PKM 3937/4885KDM4E 2919/4885ALDH1A1 858/4885
US-20140038942-A1 RORgammaT INHIBITORS RORB, RORC, RORA PKM 3937/4885KDM4E 2919/4885ALDH1A1 858/4885

“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.