SCHEMBL17899152

SCHEMBL17899152

CC(=O)c1ccc(C(N)=O)cc1Nc1ccc(OCCOC2CCOC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
F2 P00734 5/20 0.38
F10 P00742 5/20 0.38
PRSS1 P07477 5/20 0.38
PRSS2 P07478 5/20 0.38
F7 P08709 5/20 0.38
F3 P13726 5/20 0.38
PRSS3 P35030 5/20 0.38
MAPT P10636 1/20 0.38
ATF4 P18848 1/20 0.36
SPIN1 Q9Y657 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
SYK P43405 1/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
PARP10 Q53GL7 2/20 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
SCHEMBL17888600 0.94 AKR1C3 (0.39) AKR1C3AKR1C2F2F10PRSS1
SCHEMBL17899158 0.87 AKR1C3 (0.41) AKR1C3AKR1C2F10PRSS1PRSS2
SCHEMBL17931447 0.86 MAPT (0.40) AKR1C3AKR1C2F2F10PRSS1
SCHEMBL17888653 0.84 AKR1C3 (0.39) AKR1C3AKR1C2MAPTSPIN1SYK
SCHEMBL17888571 0.84 PDE4D (0.40) MAPTATF4PARP10PDE4APDE4B
SCHEMBL17888568 0.84 PDE4D (0.40) MAPTATF4PARP10PDE4APDE4B
SCHEMBL17888576 0.84 PDE4D (0.40) MAPTATF4PARP10PDE4APDE4B
SCHEMBL23190672 0.84 SPIN1 (0.38) AKR1C3AKR1C2F10PRSS1PRSS2
SCHEMBL17888529 0.83 AKR1C3 (0.39) AKR1C3AKR1C2MAPTSPIN1PARP10
SCHEMBL17899379 0.83 RAB9A (0.38) AKR1C3AKR1C2MAPTSPIN1MEN1

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-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-05-25 US disclosed
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-04-08 US disclosed
EP-3607944-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR Kyoto Pharmaceutical Industries, Ltd. (JP) 2020-02-12 EP disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 EP 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 (3 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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI AKR1C3 721/4885AKR1C2 1087/4885F2 2090/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 AKR1C3 2658/4885AKR1C2 2210/4885F2 4578/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A AKR1C3 2920/4885AKR1C2 2502/4885F2 4610/4885

“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.