SCHEMBL23565995

SCHEMBL23565995

COc1cc(C(=N)N)ccc1OCc1cc(COc2ccc(C(=N)N)cc2OC)cc(C(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 6/20 0.60
▸ MRGPRX1 Q96LB2 4/20 0.53
▸ F2 P00734 2/20 0.53
▸ F10 P00742 1/20 0.53
▸ F7 P08709 1/20 0.53
▸ KLK1 P06870 1/20 0.49
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48

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
SCHEMBL23566116 0.85 PRSS1 (0.65) PRSS1MRGPRX1F2F10F7
SCHEMBL23565993 0.85 KLK1 (0.49) PRSS1F2KLK1PRSS2PRSS3
Hydrochloric Acid SCHEMBL23235770 0.84 PRSS1 (0.66) PRSS1MRGPRX1F2F10F7
Hydrochloric Acid SCHEMBL23541011 0.84 F2 (0.50) PRSS1F2KLK1PRSS2PRSS3
SCHEMBL5759617 0.81 PRSS1 (0.70) PRSS1MRGPRX1F2F10F7
SCHEMBL10921622 0.80 PRSS1 (0.65) PRSS1MRGPRX1F2F10F7
SCHEMBL23566126 0.80 PRSS1 (0.77) PRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL23541001 0.79 PRSS1 (0.74) PRSS1F2PRSS2PRSS3
SCHEMBL23566304 0.77 PRSS1 (0.54) PRSS1MRGPRX1F2F10F7
SCHEMBL3368852 0.77 PRSS1 (0.77) PRSS1PRSS2PRSS3

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-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
WO-2021127452-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION OF ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-06-24 — — WO 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 652/4885MRGPRX1 381/4885F2 1488/4885

“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.

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