SCHEMBL5807162

SCHEMBL5807162

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
ALOX5 P09917 1/20 0.43
MAPK1 P28482 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 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
SCHEMBL5057819 1.00 HPGD (0.52) HPGDSMN1; SMN2LMNAPKMHDAC1
SCHEMBL11412947 0.92 HDAC2 (0.46) HPGDHDAC1HDAC2HDAC8HDAC6
SCHEMBL10509298 0.90 TRPV1 (0.46) HPGDSMN1; SMN2LMNAPKMHDAC1
SCHEMBL7431314 0.90 HPGD (0.41) HPGDSMN1; SMN2LMNAPKMHDAC1
SCHEMBL11405396 0.85 HDAC1 (0.53) HPGDSMN1; SMN2LMNAPKMHDAC1
SCHEMBL851962 0.85 ALDH1A1 (0.43) HPGDSMN1; SMN2LMNAHDAC1HDAC2
SCHEMBL11408765 0.85 HPGD (0.49) HPGDSMN1; SMN2LMNAPKMHDAC1
SCHEMBL5812588 0.85 SMN1; SMN2 (0.54) HPGDSMN1; SMN2LMNAPKMHDAC1
SCHEMBL11415085 0.85 SMN1; SMN2 (0.54) HPGDSMN1; SMN2LMNAPKMHDAC1
SCHEMBL5812537 0.82 SMN1; SMN2 (0.49) HPGDSMN1; SMN2LMNAPKMHDAC1

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 104/4885SMN1; SMN2 1581/4885LMNA 1126/4885
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT HPGD 2405/4885SMN1; SMN2 7/4885LMNA 166/4885
US-20190350917-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S HPGD 104/4885SMN1; SMN2 1581/4885LMNA 1126/4885
US-11426399-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S HPGD 104/4885SMN1; SMN2 1581/4885LMNA 1126/4885
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S HPGD 104/4885SMN1; SMN2 1581/4885LMNA 1126/4885
US-20200368220-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S HPGD 104/4885SMN1; SMN2 1581/4885LMNA 1126/4885

“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.