SCHEMBL1991859

SCHEMBL1991859

CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1-c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 1/20 0.53
KEAP1 Q14145 1/20 0.53
HPGD P15428 6/20 0.52
RAB9A P51151 6/20 0.50
NPC1 O15118 6/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 5/20 0.49
LMNA P02545 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 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
SCHEMBL17165493 0.81 ALDH1A1 (0.58) ALDH1A1MAPTGAAKEAP1HPGD
SCHEMBL5426715 0.80 ALDH1A1 (0.57) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL1126706 0.78 ALDH1A1 (0.62) ALDH1A1MAPTGAAHPGDRAB9A
SCHEMBL23293702 0.77 KMT2A (0.47) ALDH1A1MAPTGAAKEAP1HPGD
SCHEMBL21776024 0.76 ALDH1A1 (0.53) ALDH1A1MAPTGAAKEAP1HPGD
SCHEMBL15151518 0.75 RAB9A (0.62) ALDH1A1MAPTGAAHPGDRAB9A
SCHEMBL9670308 0.75 ALDH1A1 (0.69) ALDH1A1MAPTGAAHPGDRAB9A
SCHEMBL18529248 0.74 KMT2A (0.58) ALDH1A1MAPTGAAKEAP1HPGD
SCHEMBL26597141 0.74 RAB9A (0.61) ALDH1A1MAPTGAAHPGDRAB9A
SCHEMBL23488205 0.74 L3MBTL1 (0.66) ALDH1A1MAPTHPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885MAPT 1696/4885GAA 554/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885MAPT 1696/4885GAA 554/4885

“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.