SCHEMBL2176501

SCHEMBL2176501

S=C1c2ccccc2C(=S)N1C1CC=CCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
DPP4 P27487 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL2174046 0.89 DPP4 (0.39) CYP1A2DPP4NR1H2NR1H3
SCHEMBL2173840 0.79 ALDH1A1 (0.42) CYP1A2
SCHEMBL9980527 0.79 ALDH1A1 (0.42) CYP1A2
SCHEMBL12195995 0.68 ALDH1A1 (0.47) CYP1A2CYP2D6
SCHEMBL11835530 0.67 TSHR (0.45) CYP1A2DPP4NR1H2NR1H3
SCHEMBL6722112 0.66 ALDH1A1 (0.31)
SCHEMBL29600139 0.63 ALDH1A1 (0.53) CYP1A2
SCHEMBL109413 0.63 ALDH1A1 (0.53) CYP1A2
SCHEMBL34473049 0.63 ALDH1A1 (0.44) CYP1A2
SCHEMBL20103234 0.63 ALDH1A1 (0.44) CYP1A2

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 13 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-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 (4 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 CYP1A2 3207/4885CYP2D6 1861/4885DPP4 3165/4885
US-20060211728-A1 Thalidomide analogs TNF, TNFRSF1A, PGF CYP1A2 3511/4885CYP2D6 1997/4885DPP4 3210/4885
US-20140309436-A1 THALIDOMIDE ANALOGS TNF, TNFRSF1A, TNFRSF9 CYP1A2 3207/4885CYP2D6 1861/4885DPP4 3165/4885
US-20110245210-A1 THALIDOMIDE ANALOGS TNF, TNFRSF1A, PGF CYP1A2 3511/4885CYP2D6 1997/4885DPP4 3210/4885

“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.