SCHEMBL30828808

SCHEMBL30828808

O=C(O)CCSc1nnc(-c2cccc(F)c2)n1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
RXRA P19793 2/20 0.63
RXRB P28702 2/20 0.63
RXRG P48443 2/20 0.63
ALDH1A1 P00352 1/20 0.63
HPGD P15428 1/20 0.63
HDAC2 Q92769 2/20 0.57
PTK2 Q05397 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.50
MAPT P10636 2/20 0.49

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
SCHEMBL27171349 1.00 MEN1 (0.63) MEN1KMT2ARXRARXRBRXRG
SCHEMBL30876434 0.93 HDAC2 (0.64) MEN1KMT2ARXRARXRBRXRG
SCHEMBL27171350 0.93 HDAC2 (0.64) MEN1KMT2ARXRARXRBRXRG
SCHEMBL27171548 0.91 HDAC2 (0.70) MEN1KMT2ARXRARXRBRXRG
SCHEMBL30808825 0.91 HDAC2 (0.70) MEN1KMT2ARXRARXRBRXRG
SCHEMBL31294061 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL27097362 0.87 ALDH1A1 (0.54) MEN1KMT2ARXRARXRBRXRG
SCHEMBL30841601 0.87 ALDH1A1 (0.54) MEN1KMT2ARXRARXRBRXRG
SCHEMBL27097360 0.84 ALDH1A1 (0.50) MEN1KMT2ARXRARXRBRXRG
SCHEMBL27099536 0.84 LMNA (0.58) MEN1KMT2ARXRARXRBRXRG

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-11932611-B1 3-(5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)propanoic acid as an antimicrobial compound King Faisal University (SA) 2024-03-19 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-11932611-B1 3-(5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)propanoic acid as an antimicrobial compound FPR3, TPP1, DPP3 MEN1 4377/4885KMT2A 4143/4885RXRA 1787/4885

“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.