Sugi Predict

Sugi Predict / Compounds / SCHEMBL4496169

SCHEMBL4496169

SCHEMBL4496169

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(=O)c1ccc(OC(F)(F)F)cc1)C(=O)CC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAOB P27338 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ GAA P10253 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD11B1 P28845 2/20 0.34
▸ HPGD P15428 3/20 0.33
▸ GLA P06280 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33

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
SCHEMBL4498335 0.92 KDM4E (0.39) SMN1; SMN2LMNARAB9AMAPTTSHR
SCHEMBL4504805 0.89 HSD11B1 (0.34) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4496175 0.88 ESR1 (0.38) SMN1; SMN2LMNARAB9AMAPTTSHR
SCHEMBL4493258 0.86 ALDH1A1 (0.35) SMN1; SMN2LMNARAB9AMAPTTSHR
SCHEMBL4501365 0.83 MAOB (0.37) SMN1; SMN2LMNARAB9AMAPTTSHR
SCHEMBL4517557 0.83 CTSD (0.37) SMN1; SMN2MEN1KMT2AHSD11B1P2RY1
SCHEMBL4508998 0.83 CTSD (0.37) SMN1; SMN2MEN1KMT2AHSD11B1P2RY1
SCHEMBL4501378 0.82 MAOB (0.38) SMN1; SMN2LMNARAB9AMAPTTSHR
SCHEMBL27762201 0.81 CTSD (0.36) SMN1; SMN2MEN1KMT2AHSD11B1P2RY1
SCHEMBL4500440 0.78 ESR1 (0.37) KDM4EHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227511-B2 Substituted chromanol derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-24 — — US disclosed
US-8227511-B2 Substituted chromanol derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-24 — — US disclosed
US-8227511-B2 Substituted chromanol derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-24 — — US disclosed
US-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 — — US disclosed
US-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 — — US disclosed
US-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 — — US disclosed
EP-1999123-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-12-10 — — EP disclosed
WO-2007107243-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-09-27 — — WO disclosed
WO-2007107243-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-09-27 — — 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 (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-20090306197-A1 Substituted Chromanol Derivatives and Their Use CYP46A1, CBX3, CDYL SMN1; SMN2 2236/4885LMNA 98/4885RAB9A 2455/4885

“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.