SCHEMBL23758147

SCHEMBL23758147

CC(C)(C)S(=O)(=O)NC1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
BRD2 P25440 2/20 0.41
BRD3 Q15059 2/20 0.41
APLNR P35414 2/20 0.39
MAPK1 P28482 1/20 0.35
OPRK1 P41145 1/20 0.35
PI4KA P42356 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
SLC6A1 P30531 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL12260736 0.82 APLNR (0.39) BRD4BRD2BRD3APLNRMAPK1
SCHEMBL14450662 0.82 APLNR (0.39) BRD4BRD2BRD3APLNRMAPK1
SCHEMBL4411373 0.79 APLNR (0.42) BRD4BRD2BRD3APLNRMAPK1
SCHEMBL19700360 0.78 CA12 (0.46) TSHRLMNASMN1; SMN2CA12CA1
SCHEMBL16230729 0.78 CA12 (0.52) TSHRLMNASMN1; SMN2CA12CA1
Hydrochloric Acid SCHEMBL26186841 0.78 APLNR (0.41) BRD4BRD2BRD3APLNRMAPK1
Hydrochloric Acid SCHEMBL26186849 0.78 APLNR (0.41) BRD4BRD2BRD3APLNRMAPK1
SCHEMBL13204637 0.77 EPHX1 (0.39) BRD4BRD2BRD3KCNH2TSHR
SCHEMBL13958956 0.77 CA1 (0.56) MAPK1TSHRLMNASMN1; SMN2CA12
SCHEMBL12855687 0.77 CA1 (0.56) MAPK1TSHRLMNASMN1; SMN2CA12

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
US-20220017507-A1 PI-Kinase Inhibitors with Anti-Infective Activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-01-20 US disclosed
US-11091472-B2 PI-kinase inhibitors with anti-infective activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-17 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 (2 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-11091472-B2 PI-kinase inhibitors with anti-infective activity PIP4K2A, PIP5K1A, PIP4K2C BRD4 265/4885BRD2 546/4885BRD3 432/4885
US-20220017507-A1 PI-Kinase Inhibitors with Anti-Infective Activity PIP4K2A, PIP5K1A, PIP4K2C BRD4 276/4885BRD2 453/4885BRD3 402/4885

“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.