SCHEMBL2076578

SCHEMBL2076578

O=C1c2ccccc2-c2c(S)cccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
CDC25B P30305 1/20 0.57
PTPRC P08575 3/20 0.54
ADORA2A P29274 1/20 0.54
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 1/20 0.52
MAPT P10636 8/20 0.48
ALDH1A1 P00352 7/20 0.48
MAPK1 P28482 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
TDP1 Q9NUW8 5/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 3/20 0.48
EGFR P00533 3/20 0.48
PABPC1 P11940 2/20 0.48
NSD2 O96028 1/20 0.48
MAOA P21397 4/20 0.48
KDM4E B2RXH2 3/20 0.48

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
SCHEMBL1886170 0.91 ADORA2A (0.59) MEN1KMT2ACDC25BPTPRCADORA2A
Benzene SCHEMBL5134281 0.88 ADORA2A (0.57) MEN1KMT2ACDC25BPTPRCADORA2A
SCHEMBL3062545 0.88 MAPT (0.54) MEN1KMT2ACDC25BPTPRCADORA2A
SCHEMBL5543173 0.85 MAOA (0.52) MEN1KMT2ACDC25BPTPRCADORA2A
Propane SCHEMBL10719548 0.83 ADORA2A (0.52) MEN1KMT2ACDC25BADORA2AKEAP1
SCHEMBL6660350 0.82 MAPT (0.41) MEN1KMT2ACDC25BPTPRCADORA2A
SCHEMBL18143565 0.81 MAPT (0.55) MEN1KMT2ACDC25BPTPRCADORA2A
SCHEMBL11537772 0.80 L3MBTL1 (0.44) MEN1KMT2ACDC25BPTPRCADORA2A
Anthraquinone SCHEMBL4354119 0.79 MEN1 (0.92) MEN1KMT2ACDC25BPTPRCADORA2A
SCHEMBL8346313 0.78 MAPK1 (0.47) MEN1KMT2ACDC25BPTPRCADORA2A

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-2078009-B1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI SA (FR) 2015-03-18 EP disclosed
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 US disclosed
EP-2078009-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 Sanofi-Aventis (FR) 2009-07-15 EP disclosed
WO-2008049994-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2008-05-02 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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 MEN1 4510/4885KMT2A 4353/4885CDC25B 2433/4885

“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.