SCHEMBL12470332

SCHEMBL12470332

COc1c(F)c(B(O)O)cc(F)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
GFER P55789 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 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
SCHEMBL7014647 0.82 MEN1 (0.44) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL3537612 0.78 TUBB1 (0.34) MEN1KMT2AHSD17B10CA1CA2
SCHEMBL29411714 0.75 MEN1 (0.44) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL203637 0.75 MEN1 (0.44) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL335274 0.74 TUBB1 (0.34) MEN1KMT2AHSD17B10CA1CA2
SCHEMBL7763657 0.72 CA1 (0.45) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL24558316 0.71 ALDH1A1 (0.56) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL29133142 0.71 HSD17B10 (0.49) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL1094735 0.71 TUBB1 (0.34) MEN1KMT2AHSD17B10KDM4ECA1
SCHEMBL12470199 0.71 KDM4E (0.50) MEN1KMT2AHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MEN1 2145/4885KMT2A 1313/4885HSD17B10 1186/4885
US-20170340610-A1 RORgammaT INHIBITORS RORB, RORC, RORA MEN1 2510/4885KMT2A 1320/4885HSD17B10 1208/4885
US-20140038942-A1 RORgammaT INHIBITORS RORB, RORC, RORA MEN1 2510/4885KMT2A 1320/4885HSD17B10 1208/4885

“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.