SCHEMBL3141154

SCHEMBL3141154

CCC1(C(=O)O)OC1(C)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
HSD11B1 P28845 1/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RIPK1 Q13546 1/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3132501 0.98 HCAR2 (0.43) HCAR2CYP2C19LMNAALDH1A1TP53
SCHEMBL27356963 0.79 HCAR2 (0.47) HCAR2CYP2C19LMNAALDH1A1TP53
SCHEMBL10795202 0.70 HCAR3 (0.40) HCAR2LMNASLC6A4POLBTDP1
SCHEMBL2988124 0.66 ALDH1A1 (0.43) HCAR2LMNAALDH1A1TP53HSD11B1
Acetic Acid SCHEMBL6386413 0.65 CYP2C19 (0.55) CYP2C19LMNAALDH1A1POLBHPGD
SCHEMBL6633029 0.65 ALDH1A1 (0.42) HCAR2CYP2C19LMNAALDH1A1TP53
SCHEMBL11417195 0.64 FFAR3 (0.35)
SCHEMBL2795442 0.64 ALDH1A1 (0.51) LMNAALDH1A1TP53POLBMEN1
Carbamic Acid SCHEMBL27383793 0.64 POLB (0.55) CYP2C19LMNAALDH1A1SLC1A3SLC1A2
SCHEMBL11352535 0.64 CYP2C19 (0.53) CYP2C19LMNAALDH1A1POLBHPGD

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-8436013-B2 Compounds and methods for treatment of alpha-1 antitrypsin deficiency UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-05-07 US claimed
US-20100076018-A1 Compounds and Methods for Treatment of Alpha-1 Antitrypsin Deficiency UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-03-25 US claimed
EP-2114141-A2 COMPOUNDS AND METHODS FOR TREATMENT OF ALPHA-1 ANTITRYPSIN DEFICIENCY University of Florida (US) 2009-11-11 EP claimed
WO-2008143633-A2 COMPOUNDS AND METHODS FOR TREATMENT OF ALPHA-1 ANTITRYPSIN DEFICIENCY UNIVERSITY OF FLORIDA (US) 2008-11-27 WO claimed
US-8436013-B2 Compounds and methods for treatment of alpha-1 antitrypsin deficiency UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-05-07 US disclosed
US-8436013-B2 Compounds and methods for treatment of alpha-1 antitrypsin deficiency UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-05-07 US disclosed
US-8436013-B2 Compounds and methods for treatment of alpha-1 antitrypsin deficiency UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-05-07 US disclosed
US-20100076018-A1 Compounds and Methods for Treatment of Alpha-1 Antitrypsin Deficiency UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-03-25 US disclosed
US-20100076018-A1 Compounds and Methods for Treatment of Alpha-1 Antitrypsin Deficiency UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-03-25 US disclosed
EP-2114141-A2 COMPOUNDS AND METHODS FOR TREATMENT OF ALPHA-1 ANTITRYPSIN DEFICIENCY University of Florida (US) 2009-11-11 EP disclosed
WO-2008143633-A2 COMPOUNDS AND METHODS FOR TREATMENT OF ALPHA-1 ANTITRYPSIN DEFICIENCY UNIVERSITY OF FLORIDA (US) 2008-11-27 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-20100076018-A1 Compounds and Methods for Treatment of Alpha-1 Antitrypsin Deficiency SERPINA2, SERPINB1, SERPINC1 HCAR2 3144/4885CYP2C19 2387/4885LMNA 1085/4885

“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.