SCHEMBL18655538

SCHEMBL18655538

C[C@H](OC(=O)SCCN)OC(=O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 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
RAB9A P51151 1/20 0.30
MAPK1 P28482 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL18655547 1.00 SMN1; SMN2 (0.36) SMN1; SMN2LMNAALDH1A1ADRB2ADRB1
SCHEMBL18655564 1.00 SMN1; SMN2 (0.36) SMN1; SMN2LMNAALDH1A1ADRB2ADRB1
SCHEMBL18655562 0.87 ALDH1A1 (0.35) SMN1; SMN2LMNAALDH1A1ADRB2ADRB1
SCHEMBL14630596 0.84 ALDH1A1 (0.37) SMN1; SMN2LMNAALDH1A1ADRB2ADRB1
SCHEMBL18660429 0.81 CTSK (0.35) SMN1; SMN2LMNAALDH1A1ADRB2ADRB1
SCHEMBL18660465 0.81 CTSK (0.35) SMN1; SMN2LMNAALDH1A1ADRB2ADRB1
SCHEMBL18660631 0.81 CTSK (0.35) SMN1; SMN2LMNAALDH1A1ADRB2ADRB1
SCHEMBL10650039 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1ADRB2ADRB1
SCHEMBL18655550 0.75 TSHR (0.37) SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL18655559 0.75 TSHR (0.37) SMN1; SMN2CHRM2CHRM4CHRM1

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 SMN1; SMN2 1996/4885LMNA 2754/4885ALDH1A1 840/4885

“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.