SCHEMBL11952835

SCHEMBL11952835

CC(=O)CN1CCCCS1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL26650151 0.76
SCHEMBL514070 0.67
SCHEMBL8535996 0.67
Hydrochloric Acid SCHEMBL5552935 0.66 ALDH1A1 (0.55) ALDH1A1HTT
SCHEMBL12226479 0.66 GAA (0.56) ALDH1A1HTT
SCHEMBL1908586 0.66 GAA (0.56) ALDH1A1HTT
Hydrochloric Acid SCHEMBL2672515 0.64 ALDH1A1 (0.59) ALDH1A1HTT
SCHEMBL1908554 0.62
SCHEMBL8267015 0.62 LMNA (0.40) ALDH1A1HTT
SCHEMBL13527664 0.61 NPSR1 (0.46) ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853133-B2 Analyte determination utilizing mass tagging reagents comprising a non-encoded detectable label DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2014-10-07 US disclosed
US-8853133-B2 Analyte determination utilizing mass tagging reagents comprising a non-encoded detectable label DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2014-10-07 US disclosed
US-8492163-B2 Methods, mixtures, kits and compositions pertaining to analyte determination DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-07-23 US disclosed
US-20130184181-A1 ANALYTE DETERMINATION UTILIZING MASS TAGGING REAGENTS COMPRISING A NON-ENCODED DETECTABLE LABEL DH TECHNOLOGIES DEVELOPMENT PTE. LTD. 2013-07-18 US disclosed
US-20130184181-A1 ANALYTE DETERMINATION UTILIZING MASS TAGGING REAGENTS COMPRISING A NON-ENCODED DETECTABLE LABEL DH TECHNOLOGIES DEVELOPMENT PTE. LTD. 2013-07-18 US disclosed
US-8362242-B2 Analyte determination utilizing mass tagging reagents comprising a non-encoded detectable label DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-01-29 US disclosed
US-20120196378-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination DH TECHNOLOGIES DEVELOPMNET PTE LTD. (SI) 2012-08-02 US disclosed
US-7906341-B2 Isobaric sets, mass differential labeling sets; mass spectrometry DH TECHNOLOGIES DEVELOPMENT PTE, LTD. (SG) 2011-03-15 US disclosed
US-20110028685-A1 Analyte Determination Utilizing Mass Tagging Reagents Comprising A Non-Encoded Detectable Label APPLERA CORPORATION. (US) 2011-02-03 US disclosed
US-20080241955-A1 Methods, Mixtures, Kits And Compositions Pertaining To Analyte Determination APPLERA CORPORATION (US) 2008-10-02 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-20110028685-A1 Analyte Determination Utilizing Mass Tagging Reagents Comprising A Non-Encoded Detectable Label SRMS, KLK3, CNDP2 ALDH1A1 81/4885HTT 1341/4885
US-20080241955-A1 Methods, Mixtures, Kits And Compositions Pertaining To Analyte Determination SRMS, KLK3, MPO ALDH1A1 130/4885HTT 2188/4885
US-20120196378-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination SRMS, KLK3, MPO ALDH1A1 130/4885HTT 2188/4885

“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.