SCHEMBL23901848

SCHEMBL23901848

COc1cc(C(=N)N)ccc1CSc1cc(C)cc(SCc2ccc(C(=N)N)cc2OC)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.48
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
QRFPR Q96P65 1/20 0.39
PTGIR P43119 1/20 0.38
PLAU P00749 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PRSS2 P07478 4/20 0.37
PRSS3 P35030 4/20 0.37
C1S P09871 1/20 0.37
F10 P00742 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 SCHEMBL23880702 0.99 PRSS1 (0.49) PRSS1ALDH1A1MEN1KMT2AQRFPR
SCHEMBL23901852 0.83 PRSS1 (0.49) PRSS1PTGIRPLAUMAPTPRSS2
Hydrochloric Acid SCHEMBL23235856 0.82 PRSS1 (0.47) PRSS1PLAUMAPTPRSS2PRSS3
SCHEMBL34433861 0.78 PRSS1 (0.50) PRSS1PLAUPRSS2PRSS3C1S
SCHEMBL23902269 0.78 PRSS1 (0.50) PRSS1PLAUPRSS2PRSS3C1S
SCHEMBL23902322 0.77 HDAC3 (0.50) PRSS1ALDH1A1MEN1KMT2AMAPT
SCHEMBL23902317 0.77 PRSS1 (0.46) PRSS1ALDH1A1MEN1KMT2APLAU
Hydrochloric Acid SCHEMBL23880714 0.76 HDAC3 (0.49) PRSS1ALDH1A1MEN1KMT2AMAPT
SCHEMBL23901893 0.75 PRSS1 (0.52) PRSS1MEN1KMT2APLAUPRSS2
SCHEMBL6648829 0.74 PRSS1 (0.58) PRSS1PLAUPRSS2PRSS3F10

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 652/4885ALDH1A1 4745/4885MEN1 574/4885

“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.