SCHEMBL6626017

SCHEMBL6626017

CCOC(=O)Cc1ccsc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
PKM P14618 2/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
DNMT1 P26358 1/20 0.38
RECQL P46063 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL11538859 0.77 MAPT (0.45) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL31549227 0.77 MAPK1 (0.45) MAPK1LMNAMEN1KMT2APKM
SCHEMBL6626640 0.75 SMN1; SMN2 (0.45) MAPK1MEN1KMT2APKMMAPT
SCHEMBL2684237 0.75 PKM (0.43) LMNAMEN1KMT2APKMMAPT
SCHEMBL28190418 0.75 PKM (0.43) LMNAMEN1KMT2APKMMAPT
SCHEMBL11088223 0.75 MAPK1 (0.44) MAPK1LMNAMEN1KMT2APKM
SCHEMBL2779430 0.74 PKM (0.46) LMNAMEN1KMT2APKMSMN1; SMN2
SCHEMBL31031180 0.73 MAPK1 (0.61) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL3796044 0.73 MAPK1 (0.61) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL28565287 0.73 KMT2A (0.48) LMNAMEN1KMT2APKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110407854-B Novel tetracyclic compounds 北京加科思新药研发有限公司 2020-09-15 CN disclosed
EP-0889036-B1 HIV protease inhibitors AGOURON PHARMA (US) 2004-12-29 EP disclosed
EP-1301517-B1 THIENOPYRROLIDINONES HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
EP-1301517-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-6528653-B2 E.g., 4,6-dihydro 4-(heterocyclic ring-methylene)thieno(2,3-b) pyrrolidin-5-one derivatives; tumor necrosis factor ) inhibitors; anticarcinogenic, -proliferative and -arthritic agents; Alzheimer's disease; cardiovascular disorders HOFFMANN-LA ROCHE, INC. 2003-03-04 US disclosed
US-20020028841-A1 Thienopyrrolidinones F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 US disclosed
WO-2002002567-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 WO 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 (1 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-20020028841-A1 Thienopyrrolidinones TNF, TYMP, TNFRSF1A MAPK1 880/4885LMNA 3158/4885MEN1 1908/4885

“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.