SCHEMBL12470552

SCHEMBL12470552

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.34
LIPE Q05469 2/20 0.33
ILK Q13418 1/20 0.32
MAPT P10636 3/20 0.31
PKM P14618 1/20 0.31
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
KDM4E B2RXH2 3/20 0.31
EGFR P00533 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ROCK1 Q13464 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA7 P43166 2/20 0.30

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
SCHEMBL16113731 0.94 UCHL1 (0.34) UCHL1LIPEILKMAPTPKM
SCHEMBL12470442 0.89 PKM (0.34) UCHL1LIPEMAPTPKMKDM4E
SCHEMBL16113392 0.86 UCHL1 (0.33) UCHL1LIPEMAPTPKMKDM4E
SCHEMBL23291792 0.85 GAA (0.38) UCHL1MAPTPKMEGFRALDH1A1
SCHEMBL1918526 0.84 UCHL1 (0.36) UCHL1LIPEMAPTKDM4EALDH1A1
SCHEMBL10059440 0.84 RXRA (0.35) LIPEJAK2BTKKDM4EHPGD
SCHEMBL16005015 0.84 KDM4E (0.35) UCHL1LIPEMAPTKDM4EEGFR
SCHEMBL31335244 0.83 LIPE (0.35) UCHL1LIPEMAPTJAK2BTK
SCHEMBL15556472 0.83 LIPE (0.35) UCHL1LIPEMAPTJAK2BTK
SCHEMBL25339433 0.83 UCHL1 (0.34) UCHL1LIPEMAPTJAK2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814331-B1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-06-14 EP 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
EP-2683693-B1 RORGAMMAT INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-9603838-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-28 US 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 (3 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-20150297566-A1 RORgammaT INHIBITORS RORB, RORC, RORA UCHL1 4590/4885LIPE 4116/4885ILK 3845/4885
US-20170340610-A1 RORgammaT INHIBITORS RORB, RORC, RORA UCHL1 4662/4885LIPE 4085/4885ILK 3669/4885
US-20140038942-A1 RORgammaT INHIBITORS RORB, RORC, RORA UCHL1 4662/4885LIPE 4085/4885ILK 3669/4885

“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.