SCHEMBL8763183

SCHEMBL8763183

CC(C)(N=C=S)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
ESR1 P03372 2/20 0.35
CYP3A4 P08684 2/20 0.35
ESR2 Q92731 2/20 0.35
TRPA1 O75762 2/20 0.35
HPGD P15428 1/20 0.35
KCNN4 O15554 3/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2A13 Q16696 1/20 0.33
EPAS1 Q99814 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
SCHEMBL6675119 0.88 MIF (0.31) MIFTSHR
SCHEMBL3246192 0.84 MIF (0.37) MIFESR1ESR2
SCHEMBL6889221 0.82 MIF (0.39) MIFMAPK1ALDH1A1TAAR1ALOX15
SCHEMBL2241061 0.82 MIF (0.39) MIFMAPK1ALDH1A1TAAR1ALOX15
SCHEMBL331446 0.79 MIF (0.36) MIFALDH1A1CYP3A4TRPA1HPGD
SCHEMBL109897 0.77 MAPK1 (0.39) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL1980336 0.77 MIF (0.35) MIFMAPK1ALDH1A1TAAR1ALOX15
SCHEMBL8763980 0.77 MIF (0.37) MIFMAPK1ALDH1A1ESR1CYP3A4
SCHEMBL26965552 0.77 CYP19A1 (0.36) MIFALDH1A1TAAR1CYP3A4MAPT
SCHEMBL4386996 0.76 MIF (0.42) MIFMAPK1ALDH1A1CYP3A4TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US disclosed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US disclosed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP disclosed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO disclosed
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP 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-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 MIF 83/4885MAPK1 60/4885ALDH1A1 467/4885

“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.