SCHEMBL17192597

SCHEMBL17192597

CCOC(=O)N1C/C=C/CNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 6/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL17794442 0.83 CHRNB2 (0.40) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL17190470 0.79 MAPK1 (0.44) MEN1KMT2ASMN1; SMN2MAPTRECQL
SCHEMBL1679019 0.79 TSHR (0.57) TSHRALDH1A1POLBMEN1KMT2A
N-(Ethoxycarbonyl)Piperazine SCHEMBL113765 0.79 TSHR (0.57) TSHRALDH1A1POLBMEN1KMT2A
N-(Ethoxycarbonyl)Piperazine SCHEMBL3889276 0.79 TSHR (0.57) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL31503973 0.78 TSHR (0.50) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL7394679 0.78 DPP4 (0.49) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL17791729 0.78 CA2 (0.36) ALDH1A1POLBKMT2ASMN1; SMN2TDP1
N-(Ethoxycarbonyl)Piperazine SCHEMBL11491904 0.77 TSHR (0.55) TSHRALDH1A1POLBMEN1KMT2A
N-(Ethoxycarbonyl)Piperazine SCHEMBL28219889 0.77 TSHR (0.55) TSHRALDH1A1POLBMEN1KMT2A

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-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 (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-20150344514-A1 CHEMICALLY CLEAVABLE GROUP SQLE, CTRL, ENO1 TSHR 2074/4885ALDH1A1 780/4885POLB 1630/4885
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION KIT, JMJD7, TPSB2 TSHR 1816/4885ALDH1A1 1711/4885POLB 2718/4885

“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.