SCHEMBL23901852

SCHEMBL23901852

Cc1cc(SCc2ccc(C(=N)N)cc2C)cc(SCc2ccc(C(=N)N)cc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
C1S P09871 1/20 0.41
HDAC3 O15379 1/20 0.38
NCOR1 O75376 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MAPT P10636 1/20 0.36
F2 P00734 3/20 0.35
F10 P00742 3/20 0.35
PLG P00747 3/20 0.35

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 SCHEMBL23235856 0.99 PRSS1 (0.47) PRSS1PRSS2PRSS3C1SHDAC3
SCHEMBL23901848 0.83 PRSS1 (0.48) PRSS1PRSS2PRSS3C1SMAPT
Hydrochloric Acid SCHEMBL23880702 0.82 PRSS1 (0.49) PRSS1PRSS2PRSS3MAPTPLAU
SCHEMBL23902322 0.81 HDAC3 (0.50) PRSS1PRSS2PRSS3C1SHDAC3
Hydrochloric Acid SCHEMBL23880714 0.80 HDAC3 (0.49) PRSS1PRSS2PRSS3C1SHDAC3
SCHEMBL23901871 0.76 PRSS1 (0.51) PRSS1PRSS2PRSS3C1SF2
SCHEMBL34433765 0.76 PRSS1 (0.51) PRSS1PRSS2PRSS3C1SF2
SCHEMBL7212108 0.74 PRSS1 (0.62) PRSS1PRSS2PRSS3C1SF2
Hydrochloric Acid SCHEMBL18300526 0.73 PRSS1 (0.60) PRSS1PRSS2PRSS3C1SF2
SCHEMBL23565998 0.71 PRSS1 (0.44) PRSS1PRSS2PRSS3C1SHDAC3

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 652/4885PRSS2 1318/4885PRSS3 1397/4885

“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.