SCHEMBL1897441

SCHEMBL1897441

O=S(=O)(Oc1ccc2ccc(O)cc2c1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.56
MEN1 O00255 8/20 0.56
ESR1 P03372 7/20 0.54
ESR2 Q92731 5/20 0.54
ATM Q13315 1/20 0.54
HSD11B1 P28845 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CA9 Q16790 1/20 0.42
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
PPARG P37231 1/20 0.40
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38

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
SCHEMBL13953557 0.97 KMT2A (0.52) KMT2AMEN1ESR1ESR2ATM
SCHEMBL15205101 0.97 MEN1 (0.51) KMT2AMEN1ESR1ESR2ATM
SCHEMBL12673294 0.91 KMT2A (0.48) KMT2AMEN1ESR1ESR2ATM
SCHEMBL12673293 0.91 KMT2A (0.48) KMT2AMEN1ESR1ESR2ATM
SCHEMBL598333 0.89 CA1 (0.50) KMT2AMEN1ESR1ESR2ATM
SCHEMBL13933202 0.86 CA1 (0.49) KMT2AMEN1ESR1ESR2ATM
SCHEMBL4056753 0.86 CA1 (0.51) HSD11B1CA1CA2CA9PPARG
SCHEMBL19968005 0.85 KMT2A (0.44) KMT2AMEN1ESR1ESR2ATM
SCHEMBL2222073 0.83 KMT2A (0.50) KMT2AMEN1ESR1ESR2ATM
SCHEMBL29839512 0.82 CA1 (0.61) KMT2AMEN1ESR1ESR2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496230-B1 IRE-1 ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-02-26 EP disclosed
EP-2496230-B1 IRE-1 ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-02-26 EP disclosed
US-20180072745-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-03-15 US disclosed
US-20180072745-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-03-15 US disclosed
US-9856266-B2 IRE-1alpha inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-02 US disclosed
US-9856266-B2 IRE-1alpha inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-02 US disclosed
US-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-9493435-B2 IRE-1α inhibitors MANNKING CORPORATION (US) 2016-11-15 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
WO-2011056744-A1 IRE-1 α INHIBITORS MANNKIND CORPORATION (US) 2011-05-12 WO disclosed
WO-2011056744-A1 IRE-1 α INHIBITORS MANNKIND CORPORATION (US) 2011-05-12 WO disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 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 (4 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-20090234001-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 KMT2A 3329/4885MEN1 1825/4885ESR1 521/4885
US-20180072745-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 KMT2A 4218/4885MEN1 3421/4885ESR1 1248/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 KMT2A 2871/4885MEN1 50/4885ESR1 3179/4885
US-20170166576-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 KMT2A 4218/4885MEN1 3421/4885ESR1 1248/4885

“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.