SCHEMBL17694233

SCHEMBL17694233

CC(C)(C)C(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ MGLL Q99685 3/20 0.42
▸ FAAH O00519 2/20 0.42
▸ OPRM1 P35372 2/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL12094240 0.82 ALDH1A1 (0.48) TP53AKT1DRD2LMNAMAPT
SCHEMBL12697308 0.79 MTNR1A (0.56) TP53KDM4ELMNAMAPTMGLL
SCHEMBL19698118 0.78 OPRM1 (0.47) TP53AKT1DRD2LMNAMAPT
SCHEMBL998261 0.78 AKT1 (0.59) AKT1DRD2ALDH1A1
SCHEMBL16096215 0.77 PTGS1 (0.48) TP53AKT1DRD2LMNAMAPT
SCHEMBL22915372 0.77 AKT1 (0.41) TP53AKT1DRD2LMNAMAPT
SCHEMBL24726775 0.76 AKT1 (0.45) TP53AKT1LMNAMAPTMGLL
SCHEMBL15235369 0.76 MTNR1A (0.53) TP53LMNAMAPTMGLLFAAH
SCHEMBL20246935 0.76 MGLL (0.46) TP53AKT1DRD2LMNAMAPT
SCHEMBL9737672 0.76 MGLL (0.46) TP53AKT1DRD2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857636-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2024-01-02 — — US disclosed
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-05-11 — — US disclosed
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-05-11 — — US disclosed
US-20210128740-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ALFASIGMA S.P.A. (IT) 2021-05-06 — — US disclosed
US-10967069-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-04-06 — — US disclosed
US-20190336612-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2019-11-07 — — US disclosed
US-20190247513-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2019-08-15 — — US disclosed
US-10376594-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2019-08-13 — — US disclosed
US-10004810-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2018-06-26 — — US disclosed
US-9931408-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2018-04-03 — — US disclosed
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 — — US disclosed
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 — — US disclosed
US-9421274-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2016-08-23 — — US disclosed
US-20160151505-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS N.V. (NL) 2016-06-02 — — US disclosed
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2016-04-21 — — US 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 (11 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-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS TP53 1641/4885KDM4E 1403/4885AKT1 492/4885
US-10967069-B2 Bio-orthogonal drug activation JMJD7, KIT, PAICS TP53 1641/4885KDM4E 1403/4885AKT1 492/4885
US-20190247513-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD TP53 1269/4885KDM4E 2186/4885AKT1 4301/4885
US-20210128740-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ERBB3, HDAC6, ERBB2 TP53 1639/4885KDM4E 627/4885AKT1 600/4885
US-20190336612-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS TP53 1641/4885KDM4E 1403/4885AKT1 492/4885
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD TP53 1354/4885KDM4E 2183/4885AKT1 4265/4885
US-11857636-B2 Bio-orthogonal drug activation JMJD7, KIT, PAICS TP53 1641/4885KDM4E 1403/4885AKT1 492/4885
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS TP53 1641/4885KDM4E 1403/4885AKT1 492/4885
US-20160151505-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS TP53 1641/4885KDM4E 1403/4885AKT1 492/4885
US-10004810-B2 Bio-orthogonal drug activation JMJD7, KIT, PAICS TP53 1641/4885KDM4E 1403/4885AKT1 492/4885
US-10376594-B2 Bio-orthogonal drug activation JMJD7, KIT, PAICS TP53 1641/4885KDM4E 1403/4885AKT1 492/4885

“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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