SCHEMBL23014763

SCHEMBL23014763

CCSCCCCCCCCCCCCCCc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
TSHR P16473 3/20 0.44
NPC1 O15118 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL9007919 1.00 TAAR1 (0.48) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL23014880 1.00 TAAR1 (0.48) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL23014743 0.88 TAAR1 (0.47) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL23015149 0.88 TAAR1 (0.47) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL7116263 0.81 TAAR1 (0.70) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL8571535 0.81 TAAR1 (0.70) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL6734915 0.81 TAAR1 (0.70) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL271561 0.80 TAAR1 (0.57) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL271466 0.80 TAAR1 (0.57) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL270626 0.80 TAAR1 (0.57) TAAR1TSHRNPC1PTGS1PTGS2

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-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto UNIV EMORY (US) 2022-09-22 US claimed
EP-4017499-A1 NUCLEOSIDE PRODRUGS AND USES RELATED THERETO Emory University (US) 2022-06-29 EP claimed
WO-2021035214-A1 NUCLEOSIDE PRODRUGS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2021-02-25 WO claimed

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-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto PNPO, GSTO1, CYP2C18 TAAR1 4098/4885TSHR 4673/4885NPC1 733/4885

“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.