SCHEMBL10160125

SCHEMBL10160125

CCOC(=O)C(C(=O)OC(C)(C)C)c1sc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
LMNA P02545 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
THRB P10828 2/20 0.38
USP10 Q14694 1/20 0.36
NPSR1 Q6W5P4 3/20 0.34
BRAF P15056 1/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
GALR2 O43603 1/20 0.34
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
CCR6 P51684 1/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL10172768 0.89 KMT2A (0.35) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL359022 0.78 THRB (0.43) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL16920141 0.75 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL3961361 0.74 KMT2A (0.44) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL17083920 0.73 ALDH1A1 (0.64) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL3968921 0.73 ALDH1A1 (0.39) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL23830347 0.72 ALDH1A1 (0.43) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL21633002 0.72 MAPT (0.41) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL20703719 0.72 MAPT (0.41) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL28747410 0.71 MAPT (0.42) MAPTLMNASMN1; SMN2TDP1MAPK1

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-20130053410-A1 SUBSTITUTED HETEROARYL 2',3',7',7A'-TETRAHYDROSPIRO[PYRROLE-3,6'-PYRROLO[1,2-C]IMIDAZOLE]-1',2(1H,5'H)-DIONE BARTKOVITZ DAVID JOSEPH (US) 2013-02-28 US disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 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-20130053410-A1 SUBSTITUTED HETEROARYL 2',3',7',7A'-TETRAHYDROSPIRO[PYRROLE-3,6'-PYRROLO[1,2-C]IMIDAZOLE]-1',2(1H,5'H)-DIONE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PYCR1, DHPS MAPT 4454/4885LMNA 3487/4885SMN1; SMN2 2309/4885
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 MAPT 3625/4885LMNA 2845/4885SMN1; SMN2 3551/4885

“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.