SCHEMBL23014757

SCHEMBL23014757

CCCOCCCCCCCCCCCCc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TAAR1 Q96RJ0 1/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL23014832 1.00 TSHR (0.48) TSHRALDH1A1TAAR1NPC1SMN1; SMN2
SCHEMBL27644613 0.93 ALDH1A1 (0.51) TSHRALDH1A1TAAR1NPC1SMN1; SMN2
SCHEMBL23014839 0.88 TAAR1 (0.48) TSHRALDH1A1TAAR1NPC1SMN1; SMN2
SCHEMBL23014886 0.88 TAAR1 (0.48) TSHRALDH1A1TAAR1NPC1SMN1; SMN2
SCHEMBL5831640 0.87 ALDH1A1 (0.51) TSHRALDH1A1TAAR1NPC1SMN1; SMN2
SCHEMBL5832097 0.87 ALDH1A1 (0.51) TSHRALDH1A1TAAR1NPC1SMN1; SMN2
SCHEMBL3794914 0.87 ALDH1A1 (0.51) TSHRALDH1A1TAAR1NPC1SMN1; SMN2
SCHEMBL5831343 0.87 ALDH1A1 (0.51) TSHRALDH1A1TAAR1NPC1SMN1; SMN2
SCHEMBL28429032 0.87 ALDH1A1 (0.51) TSHRALDH1A1TAAR1NPC1SMN1; SMN2
SCHEMBL3800939 0.87 ALDH1A1 (0.51) TSHRALDH1A1TAAR1NPC1SMN1; SMN2

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 TSHR 4673/4885ALDH1A1 735/4885TAAR1 4098/4885

“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.