SCHEMBL1680991

SCHEMBL1680991

CS(=O)(=O)c1ccc(Oc2cccc(CNC(=O)c3ccc4ncccc4c3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.49
FFAR1 O14842 1/20 0.48
PLK1 P53350 1/20 0.47
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GCK P35557 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
ROCK2 O75116 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
ROCK1 Q13464 2/20 0.45
BCAT1 P54687 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45

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
SCHEMBL13491676 0.89 MMP13 (0.64) MMP13FFAR1PLK1MAPK14ALDH1A1
SCHEMBL1681075 0.89 MMP13 (0.61) MMP13GAALMNAMAPTRAB9A
SCHEMBL1681262 0.88 FFAR1 (0.57) MMP13FFAR1PLK1MAPK14LMNA
SCHEMBL1681116 0.88 ALOX15 (0.58) MMP13FFAR1PLK1MAPK14ALDH1A1
SCHEMBL1680867 0.87 EGLN1 (0.55) MMP13FFAR1PLK1MAPK14ALDH1A1
SCHEMBL13491527 0.85 MMP13 (0.61) MMP13LMNAMAPTROCK2CYP3A4
SCHEMBL13491492 0.85 MMP13 (0.53) MMP13FFAR1PLK1ALDH1A1KDM4E
SCHEMBL1681090 0.85 FFAR1 (0.68) MMP13FFAR1PLK1MAPK14ALDH1A1
SCHEMBL1680992 0.85 MMP13 (0.51) MMP13FFAR1PLK1LMNAROCK2
SCHEMBL1680887 0.84 EGLN1 (0.56) MMP13FFAR1PLK1MAPK14ALDH1A1

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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 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 (3 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 MMP13 4561/4885FFAR1 3313/4885PLK1 928/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MMP13 4373/4885FFAR1 3270/4885PLK1 294/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MMP13 4583/4885FFAR1 3308/4885PLK1 1133/4885

“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.