SCHEMBL15037015

SCHEMBL15037015

N=C(N)NCCCOc1cc(OCCCNC(=N)N)cc(-c2cccc(-c3cc(OCCCNC(=N)N)cc(OCCCNC(=N)N)c3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 9/20 0.42
▸ F10 P00742 2/20 0.41
▸ F2 P00734 2/20 0.39
▸ PLG P00747 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ C1S P09871 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2E1 P05181 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP4B1 P13584 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ CYP3A5 P20815 1/20 0.39
▸ CYP2A7 P20853 1/20 0.39
▸ CYP3A7 P24462 1/20 0.39

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
SCHEMBL15036995 0.95 PRSS1 (0.38) PRSS1F10F2PLGPRSS2
SCHEMBL16419736 0.93 L3MBTL1 (0.40) PRSS1F10CYP1A1CYP1A2CYP2E1
SCHEMBL16419773 0.93 L3MBTL1 (0.43) PRSS1F10F2PLGPRSS2
SCHEMBL16419740 0.87 L3MBTL1 (0.45) PRSS1F10F2PLGPRSS2
SCHEMBL10064720 0.86 F10 (0.53) PRSS1F10F2PLGPRSS2
SCHEMBL16605484 0.86 PRSS1 (0.44) PRSS1F10F2PLGPRSS2
SCHEMBL16419774 0.86 ABL1 (0.35) PRSS1F10F2L3MBTL1
SCHEMBL15805867 0.81 F9 (0.36) PRSS1F10
SCHEMBL15244895 0.81 PRSS1 (0.44) PRSS1F10F2PLGPRSS2
SCHEMBL16419763 0.80 F9 (0.32) PRSS1F10F2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469616-B2 Cyclic compounds and methods of making and using the same CELLCEUTIX CORPORATION (US) 2016-10-18 — — US disclosed
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2015-01-29 — — US disclosed
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2015-01-29 — — US disclosed
WO-2013090185-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME POLYMEDIX, INC. (US) 2013-06-20 — — 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-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MUC1, TLR3, ALG1 PRSS1 2089/4885F10 1930/4885F2 3308/4885

“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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