SCHEMBL5812224

SCHEMBL5812224

CSC[C@H](N)[C@@](O)(NC(=O)CCCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
ALOX5 P09917 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MAPK1 P28482 2/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL11415085 0.90 SMN1; SMN2 (0.54) HPGDHDAC1HDAC2HDAC3HDAC8
SCHEMBL5812588 0.90 SMN1; SMN2 (0.54) HPGDHDAC1HDAC2HDAC3HDAC8
SCHEMBL21570276 0.85 SMN1; SMN2 (0.49) HPGDHDAC1HDAC2HDAC3HDAC8
SCHEMBL5812537 0.85 SMN1; SMN2 (0.49) HPGDHDAC1HDAC2HDAC3HDAC8
SCHEMBL11412786 0.85 HDAC1 (0.49) HPGDHDAC1HDAC2HDAC3HDAC8
SCHEMBL11414808 0.84 HDAC1 (0.48) HPGDHDAC1HDAC2HDAC3HDAC8
SCHEMBL11405396 0.83 HDAC1 (0.53) HPGDHDAC1HDAC2HDAC3HDAC8
SCHEMBL5807162 0.82 HPGD (0.52) HPGDHDAC1HDAC2HDAC3HDAC8
SCHEMBL11408765 0.82 HPGD (0.49) HPGDHDAC1HDAC2HDAC3HDAC8
SCHEMBL5057819 0.82 HPGD (0.52) HPGDHDAC1HDAC2HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4189604-A PEPTIDASE ENZYME INHIBITORS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-02-19 US claimed
US-11426399-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase ALKAHEST, INC. (US) 2022-08-30 US disclosed
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2022-07-21 US disclosed
US-11344542-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase ALKAHEST, INC. (US) 2022-05-31 US disclosed
EP-3793602-A1 TREATMENT OF AGING-ASSOCIATED DISEASE WITH MODULATORS OF LEUKOTRIENE A4 HYDROLASE Alkahest, Inc. (US) 2021-03-24 EP disclosed
US-20200368220-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2020-11-26 US disclosed
US-20190350917-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2019-11-21 US disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed
US-4240975-A USED AS ENZYME INHIBITOR, ANTIFERTILITY AGENT, AND ENHANCES THE ANTITUMOR EFFECT OF BLEOMYCIN ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-12-23 US disclosed
US-4189604-A PEPTIDASE ENZYME INHIBITORS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-02-19 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 (6 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-11344542-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S HPGD 104/4885HDAC1 1725/4885HDAC2 1682/4885
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT HPGD 2405/4885HDAC1 2386/4885HDAC2 1399/4885
US-20190350917-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S HPGD 104/4885HDAC1 1725/4885HDAC2 1682/4885
US-11426399-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S HPGD 104/4885HDAC1 1725/4885HDAC2 1682/4885
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S HPGD 104/4885HDAC1 1725/4885HDAC2 1682/4885
US-20200368220-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S HPGD 104/4885HDAC1 1725/4885HDAC2 1682/4885

“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.