SCHEMBL3344597

SCHEMBL3344597

COc1ccc(S(C)(=O)=O)cc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 4/20 0.53
TSHR P16473 2/20 0.53
ADRA2A P08913 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
HTR2B P41595 1/20 0.53
STAT6 P42226 1/20 0.53
KCNH2 Q12809 1/20 0.53
BLM P54132 1/20 0.52
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL30219287 1.00 SMN1; SMN2 (0.57) SMN1; SMN2LMNATSHRADRA2ACYP2D6
Hydrochloric Acid SCHEMBL31532317 0.98 SMN1; SMN2 (0.56) SMN1; SMN2LMNATSHRADRA2ACYP2D6
SCHEMBL12505411 0.87 SMN1; SMN2 (0.53) SMN1; SMN2LMNATSHRADRA2ACYP2D6
SCHEMBL11408239 0.87 GAA (0.65) SMN1; SMN2LMNATSHRADRA2ACYP2D6
SCHEMBL29598834 0.87 GAA (0.65) SMN1; SMN2LMNATSHRADRA2ACYP2D6
Hydrochloric Acid SCHEMBL28335606 0.85 MEN1 (0.52) SMN1; SMN2TSHRGAAMEN1KMT2A
SCHEMBL3285978 0.85 MEN1 (0.49) SMN1; SMN2LMNATSHRGAAMEN1
Hydrochloric Acid SCHEMBL11537120 0.85 GAA (0.63) SMN1; SMN2LMNATSHRADRA2ACYP2D6
SCHEMBL8261355 0.85 SMN1; SMN2 (0.59) SMN1; SMN2LMNATSHRADRA2ACYP2D6
SCHEMBL987275 0.85 LMNA (0.60) SMN1; SMN2LMNATSHRADRA2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 SMN1; SMN2 2596/4885LMNA 2320/4885TSHR 814/4885

“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.