SCHEMBL2994737

SCHEMBL2994737

O=S(=O)(NC1CCS(O)(O)CC1)c1cnc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.40
IKBKB O14920 3/20 0.40
CHUK O15111 3/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
PLAU P00749 1/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.36
GRM4 Q14833 1/20 0.36
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2994739 0.87 IKBKB (0.51) ALDH1A1SMN1; SMN2IKBKBCHUKKDM4E
SCHEMBL26671802 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4ERECQLPLAU
SCHEMBL2985526 0.85 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2IKBKBCHUKKDM4E
SCHEMBL2991769 0.77 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2IKBKBCHUKKDM4E
SCHEMBL3415502 0.73 MAPK1 (0.67) ALDH1A1SMN1; SMN2KDM4ERECQLLMNA
SCHEMBL19994963 0.72 LMNA (0.45) ALDH1A1SMN1; SMN2KDM4ERECQLPLAU
SCHEMBL2985529 0.71 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2IKBKBCHUKKDM4E
SCHEMBL2987803 0.70 IKBKB (0.43) ALDH1A1SMN1; SMN2IKBKBCHUKKDM4E
SCHEMBL2982589 0.70 IKBKB (0.84) IKBKBCHUK
SCHEMBL17807630 0.69 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2KDM4ERECQLTSHR

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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 ALDH1A1 3844/4885SMN1; SMN2 4075/4885IKBKB 11/4885

“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.