SCHEMBL743378

SCHEMBL743378

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3cncc(C(N)=O)c3)ccc1O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.50
ACACA Q13085 1/20 0.50
KMT2A Q03164 2/20 0.48
GPR119 Q8TDV5 7/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GLA P06280 2/20 0.45
HPGD P15428 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
EPHX2 P34913 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL730422 0.92 ACACB (0.51) ACACBACACAKMT2AGPR119KDM4E
SCHEMBL308972 0.91 ACACB (0.51) ACACBACACAKMT2AGPR119KDM4E
SCHEMBL1501481 0.87 KMT2A (0.47) ACACBACACAKMT2AGPR119KDM4E
SCHEMBL309037 0.83 GPR119 (0.58) ACACBACACAKMT2AGPR119EPHX2
SCHEMBL733004 0.82 KMT2A (0.51) KMT2AGPR119HDAC3HDAC4HDAC1
SCHEMBL3493736 0.82 KMT2A (0.51) KMT2AGPR119HDAC3HDAC4HDAC1
SCHEMBL741154 0.81 KMT2A (0.49) ACACBACACAKMT2AGPR119KDM4E
SCHEMBL743917 0.81 GPR119 (0.50) ACACBACACAKMT2AGPR119EPHX2
SCHEMBL742166 0.81 HDAC3 (0.49) ACACBACACAKDM4EEPHX2HDAC3
Hydrochloric Acid SCHEMBL731480 0.80 HDAC3 (0.48) ACACBACACAKDM4EEPHX2HDAC3

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
EP-2307422-B1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD KK (JP) 2014-03-26 EP disclosed
EP-2307422-B1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD KK (JP) 2014-03-26 EP disclosed
US-8524730-B2 Spirochromanone carboxylic acids MSD K.K. (JP) 2013-09-03 US disclosed
US-8524730-B2 Spirochromanone carboxylic acids MSD K.K. (JP) 2013-09-03 US disclosed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-1910375-B1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME (US) 2011-05-11 EP disclosed
EP-2307422-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS Banyu Pharmaceutical Co., Ltd. (JP) 2011-04-13 EP disclosed
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD K.K. (JP) 2011-03-31 US disclosed
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD K.K. (JP) 2011-03-31 US disclosed
WO-2010002010-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-01-07 WO disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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 (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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 ACACB 77/4885ACACA 18/4885KMT2A 3686/4885
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS CNKSR1, CBR1, CBR3 ACACB 57/4885ACACA 16/4885KMT2A 3775/4885

“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.