SCHEMBL27046571

SCHEMBL27046571

Nc1c(C(=O)O)cc(Br)cc1S(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.50
TGM1 P22735 11/20 0.50
F13A1 P00488 10/20 0.50
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TGM3 Q08188 1/20 0.48
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL31494283 0.85 TGM2 (0.52) TGM2TGM1F13A1TGM3CYP2C19
SCHEMBL27046568 0.85 TGM2 (0.52) TGM2TGM1F13A1TGM3CYP2C19
SCHEMBL4235140 0.77 TGM2 (0.67) TGM2TGM1F13A1TGM3SMN1; SMN2
SCHEMBL31494284 0.76 TGM2 (0.47) TGM2TGM1F13A1KDM4EHSD17B10
SCHEMBL27046578 0.76 TGM2 (0.47) TGM2TGM1F13A1KDM4EHSD17B10
SCHEMBL1878082 0.76 TGM2 (0.69) TGM2TGM1F13A1KDM4ETGM3
SCHEMBL10064223 0.75 TGM2 (0.70) TGM2TGM1F13A1TGM3CYP2C19
SCHEMBL1872113 0.75 TGM2 (0.67) TGM2TGM1F13A1TGM3SMN1; SMN2
SCHEMBL22714740 0.73 RECQL (0.48) KDM4ESMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL6237772 0.73 MEN1 (0.61) TGM2TGM1F13A1TGM3CYP2C19

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-20240025880-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-25 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-20240025880-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 TGM2 4264/4885TGM1 3752/4885F13A1 2783/4885

“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.