SCHEMBL1322897

SCHEMBL1322897

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nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
TP53 P04637 1/20 0.30

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
SCHEMBL27604391 0.75 TSHR (0.37) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL11776563 0.71 TSHR (0.39) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL28195472 0.71 TSHR (0.39) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL16099341 0.71
SCHEMBL11147400 0.69 TSHR (0.37) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL3512371 0.69 TSHR (0.37) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL28457846 0.68
SCHEMBL4669135 0.67
SCHEMBL8161200 0.67 ALDH1A1 (0.35) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL7872758 0.67 ALDH1A1 (0.43) TSHRALDH1A1TDP1CA5ACA5B

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
US-8415487-B2 Process for preparing (3R)-2′-(4-bromo-2-fluorobenzyl)spiro-[pyrrolidine-3,4′(1′H)-pyrrolo[1,2-A]pyrazine]-1′,2,3′,5(2H′)-tetraone DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-04-09 US disclosed
US-20120010405-A1 OPTICALLY ACTIVE 3-AMINO-2,5-DIOXOPYRROLIDINE-3-CARBOXYLATE, PROCESS FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND TANAKA DAISUKE (JP) 2012-01-12 US disclosed
US-8058456-B2 Optically active 3-amino-2,5-dioxopyrrolidine-3-carboxylate, process for production of the compound, and use of the compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-15 US disclosed
US-20090286980-A1 OPTICALLY ACTIVE 3-AMINO-2,5-DIOXOPYRROLIDINE-3-CARBOXYLATE, PROCESS FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-11-19 US disclosed
EP-0839805-B1 Pyrrolidinone derivatives and their use as antipsychotic medicaments SCHERING AG (DE) 2001-10-04 EP disclosed
US-5969138-A ANTIPSYCHOTIC AGENTS MITSUI CHEMICALS, INC. (JP) 1999-10-19 US disclosed
EP-0839805-A1 Pyrrolidinone derivatives and their use as antipsychotic medicaments MITSUI TOATSU CHEMICALS, INC. (JP) 1998-05-06 EP 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-20090286980-A1 OPTICALLY ACTIVE 3-AMINO-2,5-DIOXOPYRROLIDINE-3-CARBOXYLATE, PROCESS FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND REN, GPR119, RANBP1 TSHR 2500/4885ALDH1A1 702/4885TDP1 4548/4885
US-20120010405-A1 OPTICALLY ACTIVE 3-AMINO-2,5-DIOXOPYRROLIDINE-3-CARBOXYLATE, PROCESS FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND REN, GPR119, RANBP1 TSHR 2500/4885ALDH1A1 702/4885TDP1 4548/4885

“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.