SCHEMBL19430435

SCHEMBL19430435

CC(C)COc1ccc2cc(C(=N)N)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 7/20 0.52
▸ PRSS1 P07477 7/20 0.50
▸ PLAU P00749 6/20 0.50
▸ PLG P00747 4/20 0.50
▸ KLKB1 P03952 2/20 0.50
▸ KLK1 P06870 2/20 0.50
▸ F12 P00748 1/20 0.49
▸ PLAT P00750 3/20 0.48
▸ F10 P00742 1/20 0.48
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ TMPRSS2 O15393 1/20 0.45

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
SCHEMBL19479025 0.82 MAPT (0.51) F2
SCHEMBL17654807 0.82 MAPT (0.51) F2
SCHEMBL19430950 0.79 PRSS1 (0.59) F2PRSS1PLAUPLGF10
SCHEMBL19479048 0.77 PRSS1 (0.60) F2PRSS1PLAUPLGF10
SCHEMBL10940056 0.77 F12 (0.52) F2PRSS1PLAUPLGKLKB1
SCHEMBL31546801 0.76 PRSS1 (0.68) F2PRSS1PLAUPLGKLKB1
SCHEMBL3368290 0.76 PRSS1 (0.68) F2PRSS1PLAUPLGKLKB1
SCHEMBL19479031 0.76 PRMT1 (0.61) F2PRSS1PLAUPLGF10
Hydrochloric Acid SCHEMBL10642974 0.76 PRSS1 (0.61) F2PRSS1PLAUPLGF10
SCHEMBL19430548 0.76 PRMT1 (0.61) F2PRSS1PLAUPLGF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-02-16 — — US disclosed
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs U niversity of Virginia Patent Foundation (US) 2021-11-23 — — US disclosed
EP-3436451-B1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-09-29 — — EP disclosed
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHYNKX THERAPEUTICS, LLC 2020-10-01 — — US disclosed
US-20170298032-A1 SPHINGOSINE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-19 — — US disclosed
WO-2017172989-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS THORPE STEVEN BRANDON (US) 2017-10-05 — — 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 (4 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-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 F2 731/4885PRSS1 562/4885PLAU 860/4885
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 F2 731/4885PRSS1 562/4885PLAU 860/4885
US-20170298032-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR2 F2 3957/4885PRSS1 568/4885PLAU 963/4885
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 F2 731/4885PRSS1 562/4885PLAU 860/4885

“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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