SCHEMBL5833932

SCHEMBL5833932

O=C(O)COc1ccc(I)cc1I

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
PKM P14618 1/20 0.47
PTGDR2 Q9Y5Y4 8/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR1 O14842 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL16742721 0.82 TDP1 (0.70) TDP1PKMPTGDR2MAPTTSHR
SCHEMBL1369720 0.82 PTGDR2 (0.64) TDP1PKMPTGDR2TSHRPOLB
SCHEMBL1332580 0.82 TDP1 (0.70) TDP1PTGDR2MAPTTSHR
SCHEMBL3046012 0.82 PTGDR2 (0.54) TDP1PKMPTGDR2MAPTTSHR
SCHEMBL1028925 0.82 PTGDR2 (0.60) TDP1PKMPTGDR2MAPTTSHR
SCHEMBL9905095 0.82 PKM (0.50) TDP1PKMPTGDR2MAPTTSHR
SCHEMBL10228587 0.80 PTGDR2 (0.51) TDP1PKMPTGDR2MAPTTSHR
SCHEMBL4977225 0.80 PTGDR2 (0.54) TDP1PKMPTGDR2MAPTTSHR
SCHEMBL4684755 0.79 TDP1 (0.56) TDP1PTGDR2MAPTTSHRPOLB
SCHEMBL5280821 0.78 PTGDR2 (0.63) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESERCH FOUNDATION INCORPORTED (US) 2015-02-05 US claimed
WO-2012162697-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-11-29 WO claimed
US-7015247-B2 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GUTTAG ALVIN 2006-03-21 US claimed
US-20030008833-A1 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GUTTAG ALVIN (US) 2003-01-09 US claimed
US-20020065254-A1 Ibuprofen-aspirin and hydroxymethylacylfulvene analogs GUTTAG ALVIN (US) 2002-05-30 US claimed
US-9629848-B2 Compounds that modulate autoimmunity and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-04-25 US disclosed
US-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESERCH FOUNDATION INCORPORTED (US) 2015-02-05 US disclosed
WO-2012162697-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-11-29 WO disclosed
US-7015247-B2 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GUTTAG ALVIN 2006-03-21 US disclosed
US-20030008833-A1 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GUTTAG ALVIN (US) 2003-01-09 US disclosed
US-6436916-B1 PHENOLIC ESTERS OF IBUPROFEN WITH SALICYLIC ACID OR ITS NONTOXIC SALTS USED AS ANTITUMOR AGENT GUTTAG ALVIN (US) 2002-08-20 US disclosed
US-20020065254-A1 Ibuprofen-aspirin and hydroxymethylacylfulvene analogs GUTTAG ALVIN (US) 2002-05-30 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 (3 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-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME HLA-DRB1, IAPP, CD74 TDP1 4665/4885PKM 3485/4885PTGDR2 1496/4885
US-20020065254-A1 Ibuprofen-aspirin and hydroxymethylacylfulvene analogs PTGES3, HPGDS, PTGES TDP1 665/4885PKM 4303/4885PTGDR2 45/4885
US-20030008833-A1 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GALE, TPT1, HPSE TDP1 1530/4885PKM 4602/4885PTGDR2 1291/4885

“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.