SCHEMBL2081872

SCHEMBL2081872

COC(=O)Cc1cn(C)c2cc(OS(=O)(=O)C(F)(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
AKR1C3 P42330 4/20 0.39
KDM4E B2RXH2 3/20 0.38
AKR1C2 P52895 2/20 0.38
AR P10275 1/20 0.38
PTGS1 P23219 1/20 0.38
CXCR2 P25025 1/20 0.38
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HTR1A P08908 2/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL27732127 0.82 HSD11B1 (0.42) ALDH1A1SCN5ASCN9ACXCR2NQO2
SCHEMBL28836368 0.78 MEN1 (0.50) ALDH1A1HPGDMAPTTDP1AKR1C3
SCHEMBL6021902 0.77 PPARG (0.50) HPGDMAPTKDM4ETSHRMEN1
SCHEMBL4838645 0.77 CXCR2 (0.40) ALDH1A1HPGDKDM4ECXCR2HTR1A
SCHEMBL2085331 0.76 KDM4E (0.51) ALDH1A1HPGDMAPTAKR1C3KDM4E
SCHEMBL14564357 0.76 ICMT (0.47) ALDH1A1HPGDMAPTAKR1C3KDM4E
SCHEMBL20539896 0.76 TSHR (0.50) ALDH1A1HPGDMAPTTDP1KDM4E
SCHEMBL5447791 0.75 KDM4E (0.44) ALDH1A1HPGDMAPTTDP1AKR1C3
SCHEMBL31443735 0.75 ALDH1A1 (0.40) ALDH1A1SCN5ASCN9AHTR1AHTR1D
SCHEMBL5444086 0.75 AKR1C3 (0.39) ALDH1A1HPGDMAPTAKR1C3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984360-B1 Compounds and methods for modulating FX-receptors LILLY CO ELI (US) 2014-01-15 EP disclosed
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2008-12-11 US disclosed
EP-1984360-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS Eli Lilly & Company (US) 2008-10-29 EP disclosed
WO-2007092751-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-16 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 (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-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR ALDH1A1 4024/4885HPGD 666/4885MAPT 4785/4885

“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.