SCHEMBL26327903

SCHEMBL26327903

CCCOC(=O)C(C(=O)OCCC)N(c1ccc2c(c1)OCO2)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
HPGD P15428 6/20 0.42
POLB P06746 1/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A9 P48067 1/20 0.38

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
SCHEMBL25440257 0.85 HPGD (0.43) HPGDPOLBCTNNB1WNT3ASMN1; SMN2
SCHEMBL26327837 0.80 TP53 (0.43) HPGDPOLBSMN1; SMN2KMT2AALDH1A1
SCHEMBL26324989 0.77 HPGD (0.42) HPGDPOLBCTNNB1WNT3ASMN1; SMN2
SCHEMBL26325985 0.64 LMNA (0.51) HPGDSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL5720838 0.64 GAA (0.47) TAS1R3TAS1R1SMN1; SMN2KMT2AALDH1A1
SCHEMBL24667608 0.64 NPC1 (0.48) HPGDSMN1; SMN2KMT2AALOX15ALDH1A1
SCHEMBL26327935 0.63 POLB (0.40) POLBKMT2AALDH1A1RAB9ALMNA
SCHEMBL20564582 0.63 TP53 (0.41) HPGDPOLBSMN1; SMN2KMT2AALDH1A1
SCHEMBL25455175 0.63 KMT2A (0.60) HPGDPOLBKMT2AALOX15ALDH1A1
SCHEMBL27290971 0.63 HDAC3 (0.41) HPGDPOLBKMT2AALOX15ALDH1A1

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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 TAS1R3 3237/4885TAS1R1 3824/4885HPGD 3275/4885

“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.