SCHEMBL26328433

SCHEMBL26328433

C[SH](C)NCCC(C)(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.41
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALOX15 P16050 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL24371155 0.79 CYP2C19 (0.45) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL3190736 0.78 CYP2C19 (0.48) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL24303103 0.78 CYP2C19 (0.44) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL4166810 0.75 TAAR1 (0.50) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL955632 0.75 TAAR1 (0.50) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL10617967 0.74 CYP2C19 (0.46) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL3200007 0.74 CYP2C19 (0.50) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL3190448 0.74 SIGMAR1 (0.47) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL297345 0.74 CYP2C19 (0.46) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL957143 0.72 CYP2C19 (0.44) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-09-26 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-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors RIPK1, RIPK3, RIPK4 CYP2C19 1596/4885SLC6A4 4259/4885SLC6A3 3648/4885

“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.