SCHEMBL21553949

SCHEMBL21553949

CCOC(=O)CCNC(=O)CC1CCCC/C=C/S1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
KLK7 P49862 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
EPHX2 P34913 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
SCHEMBL18025043 0.81 TDP1 (0.38) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL17696579 0.77 ALDH1A1 (0.40) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3532178 0.66 EPHX2 (0.45) TDP1L3MBTL1KMT2AALDH1A1USP2
SCHEMBL5571264 0.65 KMT2A (0.52) L3MBTL1MEN1KMT2AALDH1A1USP2
SCHEMBL3220536 0.65 GAA (0.56) L3MBTL1KMT2AALDH1A1USP2POLB
SCHEMBL3207787 0.65 EPHX2 (0.47) TDP1L3MBTL1ALDH1A1POLBCNR2
SCHEMBL19188031 0.65 THRB (0.44) TDP1L3MBTL1ALDH1A1POLBCNR2
SCHEMBL25826322 0.65 CYP1A2 (0.55) L3MBTL1KMT2AALDH1A1USP2POLB
SCHEMBL5411539 0.64 GAA (0.48) L3MBTL1KMT2AALDH1A1USP2POLB
SCHEMBL4432951 0.64 GAA (0.48) L3MBTL1KMT2AALDH1A1USP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10967069-B2 Bio-orthogonal drug activation JMJD7, KIT, PAICS TDP1 2839/4885L3MBTL1 2659/4885MEN1 3386/4885
US-20190336612-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS TDP1 2839/4885L3MBTL1 2659/4885MEN1 3386/4885

“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.