SCHEMBL4779874

SCHEMBL4779874

CS(=O)(=O)CCOCc1csc(NC(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.43
LMNA P02545 6/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 3/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4793221 0.85 NPC1 (0.54) SMN1; SMN2NPC1RAB9AGAALMNA
SCHEMBL4782084 0.83 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AGAALMNA
SCHEMBL4959287 0.82 MAPK1 (0.56) SMN1; SMN2NPC1RAB9AGAALMNA
SCHEMBL4779029 0.81 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AGAALMNA
SCHEMBL4777062 0.81 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AGAALMNA
SCHEMBL1742457 0.78 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AGAALMNA
SCHEMBL4726068 0.76 ROCK1 (0.44) MAPK1TSHR
SCHEMBL4726533 0.76 RAB9A (0.64) SMN1; SMN2NPC1RAB9AGAALMNA
SCHEMBL4726587 0.76 ROCK1 (0.50) SMN1; SMN2MAPK1KDM4E
SCHEMBL4725177 0.76 ROCK1 (0.55) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US disclosed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US disclosed
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 WO 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-20080207703-A1 Antibacterial heterocyclic ureas UMPS, UROD, UGP2 SMN1; SMN2 4077/4885NPC1 2049/4885RAB9A 1509/4885

“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.