SCHEMBL23902305

SCHEMBL23902305

COc1cc(C(=N)N)ccc1SCc1cc(C)cc(CSc2ccc(C(=N)N)cc2OC)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.48
PLAU P00749 2/20 0.38
PRSS2 P07478 5/20 0.37
PRSS3 P35030 5/20 0.37
C1S P09871 1/20 0.37
F10 P00742 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36

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
Hydrochloric Acid SCHEMBL23235809 0.99 PRSS1 (0.49) PRSS1PLAUPRSS2PRSS3F10
SCHEMBL23901822 0.83 PRSS1 (0.49) PRSS1PLAUPRSS2PRSS3C1S
SCHEMBL23902195 0.78 PRSS1 (0.47) PRSS1PLAUPRSS2PRSS3F10
SCHEMBL23565998 0.76 PRSS1 (0.44) PRSS1PRSS2PRSS3C1SF10
SCHEMBL23566116 0.76 PRSS1 (0.65) PRSS1PRSS2PRSS3F10
SCHEMBL34433861 0.76 PRSS1 (0.50) PRSS1PLAUPRSS2PRSS3C1S
SCHEMBL23902269 0.76 PRSS1 (0.50) PRSS1PLAUPRSS2PRSS3C1S
Hydrochloric Acid SCHEMBL23235770 0.75 PRSS1 (0.66) PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL23541192 0.75 PRSS1 (0.43) PRSS1PRSS2PRSS3C1SF10
SCHEMBL23901848 0.74 PRSS1 (0.48) PRSS1PLAUPRSS2PRSS3C1S

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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 PRSS1 652/4885PLAU 699/4885PRSS2 1318/4885

“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.