SCHEMBL18655562

SCHEMBL18655562

CCCSC(=O)OC(C)OC(=O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CTSK P43235 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
HSD11B1 P28845 1/20 0.33
HPGD P15428 1/20 0.32
NAAA Q02083 1/20 0.32
EPHX1 P07099 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL14630596 0.88 ALDH1A1 (0.37) ALDH1A1CTSKSMN1; SMN2LMNAHSD11B1
SCHEMBL18655538 0.87 SMN1; SMN2 (0.36) ALDH1A1CTSKSMN1; SMN2LMNAADRB2
SCHEMBL18655564 0.87 SMN1; SMN2 (0.36) ALDH1A1CTSKSMN1; SMN2LMNAADRB2
SCHEMBL18655547 0.87 SMN1; SMN2 (0.36) ALDH1A1CTSKSMN1; SMN2LMNAADRB2
SCHEMBL18660465 0.82 CTSK (0.35) ALDH1A1CTSKSMN1; SMN2LMNANAAA
SCHEMBL18660429 0.82 CTSK (0.35) ALDH1A1CTSKSMN1; SMN2LMNANAAA
SCHEMBL18660631 0.82 CTSK (0.35) ALDH1A1CTSKSMN1; SMN2LMNANAAA
SCHEMBL10650039 0.80 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2LMNAADRB2ADRB1
SCHEMBL18655572 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NAAAADRB2ADRB1
Acetic Acid SCHEMBL10786749 0.76 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2LMNAADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630917-B2 Cysteamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
US-9630917-B2 Cysteamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
US-20170081279-A1 CYSTEAMINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-03-23 US disclosed
US-20170081279-A1 CYSTEAMINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-03-23 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 (1 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-20170081279-A1 CYSTEAMINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE GLS, GLS2, CTH ALDH1A1 840/4885CTSK 675/4885SMN1; SMN2 1996/4885

“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.