SCHEMBL12376847

SCHEMBL12376847

CC(C)(C)c1cc(Cn2c(=S)oc3ccccc32)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.49
ALDH1A1 P00352 5/20 0.43
F2R P25116 3/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9447682 0.93 MIF (0.48) MIFALDH1A1F2RMAPK1MEN1
SCHEMBL17165027 0.83 ALDH1A1 (0.41) MIFALDH1A1F2RMAPK1MEN1
SCHEMBL11132050 0.81 F2R (0.51) ALDH1A1F2RMAPK1MEN1KMT2A
SCHEMBL18421326 0.78 MIF (0.50) MIFALDH1A1MAPK1MEN1KMT2A
SCHEMBL11385092 0.76 CYP19A1 (0.51) ALDH1A1F2RMAPK1MEN1KMT2A
SCHEMBL17156136 0.76 MIF (0.72) MIFALDH1A1MAPK1MEN1KMT2A
SCHEMBL17156221 0.76 MIF (0.68) MIFALDH1A1MAPK1MAPTPOLB
SCHEMBL9694360 0.74 F2R (0.43) ALDH1A1F2RMAPK1MEN1KMT2A
SCHEMBL20237367 0.73 MIF (0.46) MIFALDH1A1MAPK1MEN1KMT2A
SCHEMBL17261583 0.73 MIF (0.72) MIFALDH1A1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160732-B2 MIF inhibitors MIFCARE (FR) 2018-12-25 US claimed
EP-2929882-B1 MIF inhibitors MIFCARE (FR) 2018-06-13 EP claimed
US-20170029387-A1 MIF INHIBITORS APAXEN (BE) 2017-02-02 US claimed
WO-2015155358-A1 MIF INHIBITORS MIFCARE (FR) 2015-10-15 WO claimed
US-10160732-B2 MIF inhibitors MIFCARE (FR) 2018-12-25 US disclosed
EP-2929882-B1 MIF inhibitors MIFCARE (FR) 2018-06-13 EP disclosed
US-20170029387-A1 MIF INHIBITORS APAXEN (BE) 2017-02-02 US disclosed
WO-2015155358-A1 MIF INHIBITORS MIFCARE (FR) 2015-10-15 WO disclosed
US-8003297-B2 Polymeric material, containing a latent acid BASF SE (DE) 2011-08-23 US disclosed
US-20100093950-A1 POLYMERIC MATERIAL, CONTAINING A LATENT ACID CIBA CORPORATION 2010-04-15 US disclosed
US-7655380-B2 Polymeric material, containing a latent acid CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-02-02 US disclosed
US-20090155716-A1 Polymeric material containing a latent acid, i.e. a compound which is not an acid but which can be converted to an acid by the influence of laser irradiation HENEGHAN MICHAEL 2009-06-18 US disclosed
EP-1407322-B1 LASER MARKING METHOD CIBA HOLDING INC (CH) 2008-12-17 EP disclosed
US-7264916-B2 Laser marking method CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-09-04 US disclosed
US-7198884-B2 Heat stable photocurable resin composition for dry film resist CIBA SPECIALTY CHEMICALS CORP. (US) 2007-04-03 US disclosed
US-7198884-B2 Heat stable photocurable resin composition for dry film resist CIBA SPECIALTY CHEMICALS CORP. (US) 2007-04-03 US disclosed
US-20070054220-A1 Polymeric material, containing a latent acid HENEGHAN MICHAEL 2007-03-08 US 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 (2 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-10160732-B2 MIF inhibitors MIF, MSR1, MMP12 MIF 1/4885ALDH1A1 886/4885F2R 297/4885
US-20170029387-A1 MIF INHIBITORS MIF, MSR1, MMP12 MIF 1/4885ALDH1A1 886/4885F2R 297/4885

“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.