SCHEMBL17899151

SCHEMBL17899151

C[C@@H](O)c1ccc(C(N)=O)cc1Oc1ccc(N2CC(OCCO)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.36
MAPK1 P28482 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
SCN9A Q15858 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL17899403 0.91 PARP14 (0.37) PARP14PARP10MAPT
SCHEMBL17899389 0.86 MAPK1 (0.37) ACACBMAPK1PARP14PARP10SCN9A
SCHEMBL17899391 0.85 PARP10 (0.38) MAPK1PARP14PARP10SCN9AMAPT
SCHEMBL17888562 0.84 PARP14 (0.35) PARP14PARP10MAPT
SCHEMBL17888565 0.82 LIPG (0.39) PARP14PARP10SCN9AMAPT
SCHEMBL17888577 0.80 PARP1 (0.36) ACACBPARP14PARP10MAPT
SCHEMBL17888597 0.77 PDE4D (0.37) MAPK1PARP10
SCHEMBL17899128 0.77 PDE4D (0.37) MAPK1PARP10
SCHEMBL17888594 0.77 PDE4D (0.37) MAPK1PARP10
SCHEMBL31661867 0.77 SCN9A (0.37) ACACBPARP14PARP10SCN9A

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 5 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
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 ACACB 3989/4885MAPK1 352/4885PARP14 4384/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 ACACB 3460/4885MAPK1 100/4885PARP14 1692/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A ACACB 3301/4885MAPK1 115/4885PARP14 1707/4885

“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.