SCHEMBL1998282

SCHEMBL1998282

CCOC(=O)Cc1cn(C(=O)OC(C)(C)C)c2sccc12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
HTR6 P50406 1/20 0.39
PKM P14618 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
BCHE P06276 1/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
ESR2 Q92731 1/20 0.32
AKR1C3 P42330 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
SCHEMBL1995369 0.88 L3MBTL1 (0.49) L3MBTL1HTR6PTGDR2KMT2AMAPT
SCHEMBL28935680 0.85 L3MBTL1 (0.46) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL12631148 0.85 PTGDR2 (0.48) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL1990987 0.84 L3MBTL1 (0.45) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL1993789 0.84 L3MBTL1 (0.46) L3MBTL1PKMPTGDR2KMT2AMAPT
SCHEMBL11948700 0.82 L3MBTL1 (0.43) L3MBTL1HTR6PTGDR2TSHRBCHE
SCHEMBL1996783 0.81 L3MBTL1 (0.61) L3MBTL1HTR6PKMKMT2AMAPT
SCHEMBL1996984 0.81 L3MBTL1 (0.65) L3MBTL1HTR6PKMPTGDR2SMN1; SMN2
SCHEMBL28935728 0.80 L3MBTL1 (0.41) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL1992879 0.79 L3MBTL1 (0.42) L3MBTL1HTR6PKMKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611895-A Arylamino derivative estrogen receptor modulators and uses thereof 四川海思科制药有限公司 2023-01-17 CN disclosed
US-8232298-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-31 US disclosed
US-8232298-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-31 US disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20090149493-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN-CILAG (FR) 2009-06-11 US disclosed
US-20090149493-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN-CILAG (FR) 2009-06-11 US disclosed
EP-1648904-B1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-22 EP disclosed
US-7220756-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-22 US disclosed
US-7220756-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-22 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO L3MBTL1 3898/4885HTR6 368/4885PKM 833/4885
US-20090149493-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 L3MBTL1 495/4885HTR6 3415/4885PKM 1702/4885

“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.