SCHEMBL2174046

SCHEMBL2174046

O=C1c2ccccc2C(=S)N1C1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 2/20 0.38
CHRM2 P08172 1/20 0.38
OPRM1 P35372 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MC4R P32245 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2173840 0.89 ALDH1A1 (0.42) ALDH1A1TSHRTDP1CYP1A2CHRM2
SCHEMBL9980527 0.89 ALDH1A1 (0.42) ALDH1A1TSHRTDP1CYP1A2CHRM2
SCHEMBL2176501 0.89 CYP1A2 (0.33) DPP4NR1H2NR1H3CYP1A2
SCHEMBL11835530 0.82 TSHR (0.45) DPP4NR1H2NR1H3ALDH1A1TSHR
SCHEMBL29600139 0.78 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CYP1A2CHRM2
SCHEMBL109413 0.78 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CYP1A2CHRM2
SCHEMBL12520706 0.76 ALDH1A1 (0.51) ALDH1A1TSHRTDP1CYP1A2CHRM2
SCHEMBL28114845 0.76 ALDH1A1 (0.51) ALDH1A1TSHRTDP1CYP1A2CHRM2
SCHEMBL20103234 0.76 ALDH1A1 (0.44) ALDH1A1TSHRTDP1CYP1A2CHRM2
SCHEMBL34473049 0.76 ALDH1A1 (0.44) ALDH1A1TSHRTDP1CYP1A2CHRM2

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 DPP4 3165/4885NR1H2 1842/4885NR1H3 2355/4885
US-20060211728-A1 Thalidomide analogs TNF, TNFRSF1A, PGF DPP4 3210/4885NR1H2 1791/4885NR1H3 2101/4885
US-20140309436-A1 THALIDOMIDE ANALOGS TNF, TNFRSF1A, TNFRSF9 DPP4 3165/4885NR1H2 1842/4885NR1H3 2355/4885
US-20110245210-A1 THALIDOMIDE ANALOGS TNF, TNFRSF1A, PGF DPP4 3210/4885NR1H2 1791/4885NR1H3 2101/4885

“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.