SCHEMBL17192553

SCHEMBL17192553

CNC(=O)OC1/C=C/CCCCC1OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL17190362 0.89 MEN1 (0.30) MEN1RAB9AKMT2A
SCHEMBL18891295 0.88 CYP3A4 (0.33) MEN1RAB9AKMT2A
SCHEMBL17192556 0.86
SCHEMBL15748129 0.86 RAB9A (0.35) CHRM1MEN1RAB9AKMT2A
SCHEMBL17190372 0.83 ATM (0.30)
SCHEMBL17192555 0.82
SCHEMBL17190370 0.81
SCHEMBL3672538 0.80
SCHEMBL3672537 0.80
SCHEMBL18891429 0.80 RAB9A (0.34) CHRM1MEN1RAB9AKMT2A

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-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-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2016-04-21 US disclosed
US-20150344514-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-12-03 US disclosed
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-10-22 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 (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-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS CHRM1 4375/4885MEN1 3386/4885RAB9A 1583/4885
US-20150344514-A1 CHEMICALLY CLEAVABLE GROUP SQLE, CTRL, ENO1 CHRM1 1892/4885MEN1 565/4885RAB9A 4672/4885
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION KIT, JMJD7, TPSB2 CHRM1 2584/4885MEN1 1926/4885RAB9A 2831/4885
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS CHRM1 4375/4885MEN1 3386/4885RAB9A 1583/4885

“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.