SCHEMBL3636975

SCHEMBL3636975

[C-]#[N+]C(C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 3/20 0.51
HTT P42858 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
EBP Q15125 1/20 0.48
DHCR7 Q9UBM7 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
SCHEMBL29957370 0.85 GAA (0.41) ALDH1A1PKMHTTPOLBKMT2A
SCHEMBL29954812 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL29952032 0.83 ALDH1A1 (0.47) ALDH1A1PKMHTTPOLBLMNA
SCHEMBL13041357 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EHTTPOLBLMNA
SCHEMBL13503961 0.80 LMNA (0.62) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL14009157 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL12169328 0.75 ALDH1A1 (0.63) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL11989579 0.75 LMNA (0.56) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL28882522 0.75 ALDH1A1 (0.66) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL266466 0.75 MEN1 (0.77) ALDH1A1KDM4EPKMHTTPOLB

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
US-8765788-B2 Tricyclic inhibitors of hydroxysteroid dehydrogenases AMGEN INC. (US) 2014-07-01 US disclosed
US-8765788-B2 Tricyclic inhibitors of hydroxysteroid dehydrogenases AMGEN INC. (US) 2014-07-01 US disclosed
US-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2010-11-04 US disclosed
US-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2010-11-04 US disclosed
EP-2162439-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES Amgen Inc. (US) 2010-03-17 EP disclosed
WO-2008156601-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2008-12-24 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-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES HSD11B1, HSD3B1, HSD17B1 ALDH1A1 185/4885KDM4E 3240/4885PKM 843/4885

“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.