SCHEMBL458553

SCHEMBL458553

CC(=O)OCCSC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
TSHR P16473 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRNB2 P17787 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
GALR3 O60755 2/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL16581324 0.87 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL126543 0.82 HDAC3 (0.34) TSHRMETAP2HDAC3HDAC4HDAC1
SCHEMBL12285898 0.79 TSHR (0.52) ALDH1A1TSHRMETAP2TDP1HTT
SCHEMBL25923045 0.78 NAAA (0.45) ALDH1A1GAALMNAMETAP2HTT
SCHEMBL12285540 0.77 TSHR (0.53) ALDH1A1TSHRSMN1; SMN2HSD17B10METAP2
SCHEMBL25755665 0.77 MMP1 (0.37) ALDH1A1TSHRMETAP2TDP1
SCHEMBL17253261 0.75 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL11652510 0.75 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL10665153 0.75 METAP2 (0.32) TSHRMETAP2
SCHEMBL1104791 0.73

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-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20130029909-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2013-01-31 US disclosed
US-20120225825-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-09-06 US disclosed
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. 2012-08-23 US disclosed
US-20120114658-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2012-05-10 US disclosed
US-20120064071-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20120065161-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20110282047-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2011-11-17 US disclosed
US-20110178287-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-07-21 US disclosed
US-20110160159-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2011-06-30 US disclosed
US-20110152512-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. 2011-06-23 US disclosed
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery INSERT THERAPEUTICS, INC. (US) 2008-07-24 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 (9 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-20120114658-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B ALDH1A1 1266/4885CHRM5 4032/4885CHRM1 4197/4885
US-20120225825-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 ALDH1A1 3011/4885CHRM5 4196/4885CHRM1 4598/4885
US-20130029909-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B ALDH1A1 1266/4885CHRM5 4032/4885CHRM1 4197/4885
US-20120065161-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY DDOST, SDCBP, STT3B ALDH1A1 2405/4885CHRM5 4130/4885CHRM1 4492/4885
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery CD47, SDCBP, BST2 ALDH1A1 2837/4885CHRM5 2546/4885CHRM1 3556/4885
US-20120064071-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B ALDH1A1 1266/4885CHRM5 4032/4885CHRM1 4197/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 ALDH1A1 2646/4885CHRM5 3170/4885CHRM1 4112/4885
US-20110160159-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B ALDH1A1 1266/4885CHRM5 4032/4885CHRM1 4197/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP ALDH1A1 3058/4885CHRM5 2560/4885CHRM1 3513/4885

“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.