SCHEMBL18655550

SCHEMBL18655550

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nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
MAPT P10636 2/20 0.32
GALR3 O60755 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.30
NOS1 P29475 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL18655542 1.00 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18655559 1.00 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18655555 0.84 ACHE (0.32)
SCHEMBL18655561 0.84 ACHE (0.32)
SCHEMBL18655544 0.84 ACHE (0.32)
SCHEMBL18655570 0.83 TDP1 (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5305316 0.83 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18655545 0.82 LMNA (0.30)
SCHEMBL18655551 0.82 LMNA (0.30)
Hydrochloric Acid SCHEMBL18757100 0.82 ACHE (0.31)

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 TSHR 3262/4885CHRM2 1509/4885CHRM4 2380/4885

“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.