SCHEMBL2174975

SCHEMBL2174975

O=C(O)CCC(C(=O)O)N1C(=S)c2ccccc2C1=S

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
MAPK1 P28482 3/20 0.69
HSD17B10 Q99714 3/20 0.69
HPGD P15428 3/20 0.69
KDM4E B2RXH2 2/20 0.69
CYP2D6 P10635 2/20 0.69
POLB P06746 2/20 0.69
APEX1 P27695 2/20 0.69
TP53 P04637 1/20 0.69
GLA P06280 1/20 0.69
CYP3A4 P08684 1/20 0.69
ALOX12 P18054 1/20 0.69
NFKB1 P19838 1/20 0.69
MAPT P10636 3/20 0.51
ALOX15 P16050 2/20 0.51
GAA P10253 3/20 0.45
CPA3 P15088 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
PPM1B O75688 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
SCHEMBL2172873 0.91 ALDH1A1 (0.81) ALDH1A1MAPK1HSD17B10HPGDKDM4E
SCHEMBL7285516 0.82 ALDH1A1 (1.00) ALDH1A1MAPK1HSD17B10HPGDKDM4E
SCHEMBL29763164 0.82 ALDH1A1 (1.00) ALDH1A1MAPK1HSD17B10HPGDKDM4E
SCHEMBL14991107 0.82 ALDH1A1 (1.00) ALDH1A1MAPK1HSD17B10HPGDKDM4E
SCHEMBL441970 0.82 ALDH1A1 (1.00) ALDH1A1MAPK1HSD17B10HPGDKDM4E
SCHEMBL411173 0.82 ALDH1A1 (1.00) ALDH1A1MAPK1HSD17B10HPGDKDM4E
SCHEMBL411110 0.82 ALDH1A1 (1.00) ALDH1A1MAPK1HSD17B10HPGDKDM4E
SCHEMBL22047345 0.74 ALDH1A1 (0.72) ALDH1A1MAPK1HSD17B10HPGDKDM4E
SCHEMBL24317636 0.73 ALDH1A1 (0.45) ALDH1A1MAPK1HSD17B10HPGDKDM4E
SCHEMBL29583308 0.73 ALDH1A1 (0.45) ALDH1A1MAPK1HSD17B10HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007505922-A 2007-03-15 JP claimed
US-20060211728-A1 Thalidomide analogs P2D INC. 2006-09-21 US claimed
EP-1663223-A2 THALIDOMIDE ANALOGS AS TNF-ALPHA MODULATORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2006-06-07 EP claimed
WO-2005028436-A2 THALIDOMIDE ANALOGS AS TNF-ALPHA MODULATORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-03-31 WO claimed
US-20140309436-A1 THALIDOMIDE ANALOGS P2D, INC. 2014-10-16 US disclosed
US-8853253-B2 Thalidomide analogs P2D, INC. (US) 2014-10-07 US disclosed
US-8546430-B2 Thalidomide analogs P2D, INC. (US) 2013-10-01 US disclosed
US-20130203811-A1 THALIDOMIDE AND THALIDOMIDE ANALOGUES FOR THE PREVENTION AND TREATMENT OF SARCOPENIA PRENDERGAST PATRICK T (AU) 2013-08-08 US disclosed
US-20130203811-A1 THALIDOMIDE AND THALIDOMIDE ANALOGUES FOR THE PREVENTION AND TREATMENT OF SARCOPENIA PRENDERGAST PATRICK T (AU) 2013-08-08 US disclosed
US-20130035363-A1 Thalidomide Analogs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2013-02-07 US disclosed
US-20110245210-A1 THALIDOMIDE ANALOGS The Government of the United States of America, as represented by the Secretary of 2011-10-06 US disclosed
US-7973057-B2 Thalidomide analogs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-07-05 US disclosed
US-20060211728-A1 Thalidomide analogs P2D INC. 2006-09-21 US disclosed
EP-1663223-A2 THALIDOMIDE ANALOGS AS TNF-ALPHA MODULATORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2006-06-07 EP disclosed
WO-2005028436-A2 THALIDOMIDE ANALOGS AS TNF-ALPHA MODULATORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-03-31 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 (5 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-20130035363-A1 Thalidomide Analogs TNF, TNFRSF1A, TNFRSF9 ALDH1A1 279/4885MAPK1 3233/4885HSD17B10 4135/4885
US-20060211728-A1 Thalidomide analogs TNF, TNFRSF1A, PGF ALDH1A1 336/4885MAPK1 3942/4885HSD17B10 4209/4885
US-20140309436-A1 THALIDOMIDE ANALOGS TNF, TNFRSF1A, TNFRSF9 ALDH1A1 279/4885MAPK1 3233/4885HSD17B10 4135/4885
US-20110245210-A1 THALIDOMIDE ANALOGS TNF, TNFRSF1A, PGF ALDH1A1 336/4885MAPK1 3942/4885HSD17B10 4209/4885
US-20130203811-A1 THALIDOMIDE AND THALIDOMIDE ANALOGUES FOR THE PREVENTION AND TREATMENT OF SARCOPENIA MTPN, TNNC1, MSTN ALDH1A1 3122/4885MAPK1 1577/4885HSD17B10 3488/4885

“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.