SCHEMBL10306152

SCHEMBL10306152

C[C@H](c1ccccc1)N1C[C@@](C)(C(=O)OC(C)(C)C)C(CCOS(=O)(=O)c2ccc(Br)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RORC P51449 2/20 0.35
CYP3A4 P08684 2/20 0.35
HSD11B1 P28845 2/20 0.35
CYP2C9 P11712 1/20 0.35
APLNR P35414 6/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
P2RX7 Q99572 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2243926 0.94 KMT2A (0.35) GAAHTTKMT2ANR1H2NR1H3
SCHEMBL2761682 0.83 KMT2A (0.37) SMN1; SMN2CYP3A4HSD11B1CYP2C9KMT2A
SCHEMBL762310 0.82 KMT2A (0.40) GAAHTTSMN1; SMN2CYP3A4HSD11B1
SCHEMBL761862 0.82 KMT2A (0.40) GAAHTTSMN1; SMN2HSD11B1LMNA
SCHEMBL13021387 0.81 KMT2A (0.39) GAAHTTSMN1; SMN2HSD11B1ALDH1A1
SCHEMBL10306151 0.80 SMYD2 (0.37) GAAHTTSMN1; SMN2CYP3A4HSD11B1
SCHEMBL10306149 0.80 KMT2A (0.35) GAAHTTSMN1; SMN2CYP3A4HSD11B1
SCHEMBL9939516 0.80 KMT2A (0.41) GAAHTTSMN1; SMN2HSD11B1ALDH1A1
SCHEMBL741114 0.75 L3MBTL1 (0.38) SMN1; SMN2ALDH1A1KMT2AL3MBTL1NR1H2
SCHEMBL3974988 0.75 KMT2A (0.43) GAAHTTSMN1; SMN2HSD11B1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 EP disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8003666-B2 Hydrate for medical purposes DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-7928232-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-19 US disclosed
US-7842818-B2 Process for preparation of tetrasubstituted 5-azaspiro[2.4]- heptane derivatives and optically active intermediates thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-20100234410-A1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-10-29 US disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
US-7563805-B2 7-[3-Amino-3,4-dimethylpyrrolidine-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid: quinoline bactericide; broad spectrum, strong antibacterial activity for Grampositive/-negative including multiple resistant cocci; side effect reductcion; drug design DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-07-21 US disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 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 (4 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-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DHPS, SQLE, NQO2 GAA 1354/4885HTT 2103/4885SMN1; SMN2 4705/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 GAA 1980/4885HTT 3065/4885SMN1; SMN2 4681/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 GAA 487/4885HTT 4125/4885SMN1; SMN2 4372/4885
US-20100234410-A1 HYDRATE FOR MEDICAL PURPOSES HTR7, UGT1A7, H1-5 GAA 832/4885HTT 187/4885SMN1; SMN2 1648/4885

“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.