SCHEMBL12422648

SCHEMBL12422648

CSCCNC(=O)CCCC(=O)NCCSSC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.43
FAAH O00519 4/20 0.37
LPAR1 Q92633 1/20 0.36
CASP2 P42575 1/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DNM1 Q05193 2/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
PGGT1B P53609 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL12417550 0.94 TSHR (0.47) ALDH1A1TSHRFAAHLPAR1CASP2
SCHEMBL13225553 0.90 ALDH1A1 (0.58) ALDH1A1TSHRFAAHLPAR1CASP2
SCHEMBL13339624 0.86 TSHR (0.41) ALDH1A1TSHRFAAHLPAR1CASP2
SCHEMBL10036633 0.82 ALDH1A1 (0.62) ALDH1A1TSHRFAAHLPAR1CASP2
SCHEMBL12107776 0.81 ALDH1A1 (0.52) ALDH1A1FAAHLPAR1CASP2HPGD
SCHEMBL10025175 0.81 CASP2 (0.52) ALDH1A1FAAHLPAR1CASP2HPGD
SCHEMBL12417380 0.81 LPAR1 (0.40) ALDH1A1FAAHLPAR1HPGDMAPT
SCHEMBL16015493 0.81 SLC6A5 (0.50) ALDH1A1FAAHLPAR1SMN1; SMN2DNM1
SCHEMBL18082922 0.80 TSHR (0.37) ALDH1A1TSHRFAAHLPAR1CASP2
SCHEMBL14477579 0.80 DNM1 (0.40) ALDH1A1FAAHLPAR1CASP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8636994-B2 Polymer-based compositions and conjugates of antimicrobial agents NEKTAR THERAPEUTICS (US) 2014-01-28 US disclosed
US-20130195839-A1 Polymer-Based Compositions and Conjugates of Antimicrobial Agents NAKTAR THERAPEUTICS (US) 2013-08-01 US disclosed
US-20110171165-A1 POLYMER CONJUGATES OF OPIOID GROWTH FACTOR PEPTIDES NEKTAR THERAPEUTICS 2011-07-14 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 (2 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-20130195839-A1 Polymer-Based Compositions and Conjugates of Antimicrobial Agents DDOST, CLSPN, DAD1 ALDH1A1 3889/4885TSHR 4618/4885FAAH 4531/4885
US-20110171165-A1 POLYMER CONJUGATES OF OPIOID GROWTH FACTOR PEPTIDES OGFR, OGFRL1, OPRL1 ALDH1A1 2260/4885TSHR 1303/4885FAAH 1874/4885

“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.