SCHEMBL9965446

SCHEMBL9965446

O=C(Nc1ccccc1Oc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)C2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
EPHX2 P34913 6/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.48
PTPN1 P18031 1/20 0.48
LIPE Q05469 1/20 0.47
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL9965461 0.99 GAA (0.55) GAAPKMEPHX2SMN1; SMN2KMT2A
SCHEMBL9965384 0.90 GAA (0.54) GAAPKMEPHX2SMN1; SMN2KMT2A
SCHEMBL9965380 0.89 GAA (0.55) GAAPKMEPHX2SMN1; SMN2KMT2A
SCHEMBL641303 0.87 GAA (0.57) GAAPKMEPHX2SMN1; SMN2KMT2A
SCHEMBL9965422 0.85 ACHE (0.66) GAAPKMKMT2APTPN1LIPE
SCHEMBL641560 0.84 GAA (0.54) GAAPKMEPHX2KMT2APTPN1
SCHEMBL9965371 0.84 EPHX2 (0.55) GAAPKMEPHX2KMT2ALIPE
SCHEMBL9965424 0.83 GAA (0.52) GAAPKMEPHX2KMT2ALIPE
SCHEMBL9965459 0.82 GAA (0.53) GAAPKMSMN1; SMN2KMT2APTPN1
SCHEMBL9965405 0.82 GAA (0.51) GAAPKMEPHX2KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 GAA 4841/4885PKM 3744/4885EPHX2 781/4885

“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.