SCHEMBL29512975

SCHEMBL29512975

NC(=O)c1ccc(NCCCNc2ccc(C(N)=O)cc2N)c(N)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.71
GAA P10253 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
HSD17B10 Q99714 1/20 0.55
PTGER4 P35408 3/20 0.54
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53
PLEC Q15149 1/20 0.53
PRKCI P41743 1/20 0.45
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL22908881 1.00 PRSS1 (0.71) PRSS1GAAKDM4EALDH1A1MAPT
SCHEMBL22428322 0.97 PRSS1 (0.71) PRSS1GAAKDM4EALDH1A1MAPT
SCHEMBL29513036 0.97 PRSS1 (0.71) PRSS1GAAKDM4EALDH1A1MAPT
SCHEMBL22908891 0.93 PRSS1 (0.69) PRSS1GAAKDM4EALDH1A1MAPT
SCHEMBL22135331 0.91 PRSS1 (0.59) PRSS1GAAKDM4EALDH1A1MAPT
SCHEMBL19436451 0.88 PRSS1 (0.60) PRSS1GAAKDM4EALDH1A1MAPT
SCHEMBL6023398 0.87 PRSS1 (0.57) PRSS1GAAKDM4EALDH1A1MAPT
SCHEMBL22118804 0.87 GAA (0.58) PRSS1GAAKDM4EALDH1A1MAPT
SCHEMBL31494211 0.87 GAA (0.74) PRSS1GAAKDM4EALDH1A1MAPT
SCHEMBL29012770 0.85 PRSS1 (0.57) PRSS1GAAKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384801-B2 Benzothiophene, thienopyridine and thienopyrimidine derivatives for the modulation of sting CTXT PTY LTD. (AU) 2025-08-12 US disclosed
EP-3999185-B1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD (AU) 2023-08-30 EP disclosed
US-20220389032-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD. (AU) 2022-12-08 US disclosed
EP-3999185-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT Pty Limited (AU) 2022-05-25 EP disclosed
CN-114206882-A Benzothiophene, thienopyridine, and thienopyrimidine derivatives for modulation of STING CTXT私人有限公司 2022-03-18 CN 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-12384801-B2 Benzothiophene, thienopyridine and thienopyrimidine derivatives for the modulation of sting STING1, CGAS, MAVS PRSS1 2855/4885GAA 3648/4885KDM4E 1256/4885
US-20220389032-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING STING1, CGAS, MAVS PRSS1 2855/4885GAA 3648/4885KDM4E 1256/4885

“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.