Sugi Predict

Sugi Predict / Compounds / SCHEMBL1712282

SCHEMBL1712282

SCHEMBL1712282

COc1ccc2cc(C(F)(F)F)c(=O)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ HPGD P15428 4/20 0.57
▸ GAA P10253 4/20 0.57
▸ GLA P06280 4/20 0.57
▸ SLC16A3 O15427 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CA12 O43570 3/20 0.56
▸ CA9 Q16790 3/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ GPR55 Q9Y2T6 1/20 0.56
▸ KDM4E B2RXH2 5/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ CA3 P07451 2/20 0.55
▸ CA4 P22748 2/20 0.55
▸ CA6 P23280 2/20 0.55

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
SCHEMBL12456573 0.86 CA12 (0.61) MAOBALDH1A1HPGDGAAGLA
SCHEMBL28644476 0.83 GLA (0.61) MAOBALDH1A1HPGDGAAGLA
SCHEMBL21524279 0.83 NPC1 (0.64) MAOBALDH1A1HPGDGAAGLA
SCHEMBL17179661 0.81 HSD11B1 (0.65) MAOBHPGDGAAGLASLC16A3
SCHEMBL1871996 0.80 STS (0.48) MAOBALDH1A1HPGDGAAGLA
SCHEMBL28642209 0.80 MAOB (0.47) MAOBALDH1A1MEN1KMT2ACA12
SCHEMBL10305766 0.78 ALDH1A1 (0.63) MAOBALDH1A1HPGDGAAGLA
SCHEMBL15842332 0.78 PGR (0.43) MAOBALDH1A1HPGDGAAMEN1
SCHEMBL15842248 0.78 ALDH1A1 (0.63) MAOBALDH1A1HPGDGAAGLA
SCHEMBL27935837 0.77 NOTUM (0.52) MAOBALDH1A1HPGDGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113481524-B Preparation method for electrochemically synthesizing 3-trifluoromethyl coumarin compound 上海电力大学 2022-10-21 — — CN disclosed
CN-113481524-A Preparation method for electrochemically synthesizing 3-trifluoromethyl coumarin compound 上海电力大学 2021-10-08 — — CN disclosed
US-10478412-B2 GABA conjugates and methods of use thereof XGENE PHARMACEUTICAL INC. (KY) 2019-11-19 — — US disclosed
EP-3075722-A1 GABA CONJUGATES AND METHODS OF USE THEREOF Xgene Pharmaceutical Inc (KY) 2016-10-05 — — EP disclosed
US-20160256558-A1 GABA CONJUGATES AND METHODS OF USE THEREOF KYPHIA PHARMACEUTICALS, INC. (KY) 2016-09-08 — — US disclosed
EP-2344447-B1 GABA CONJUGATES AND METHODS OF USE THEREOF XGENE PHARMACEUTICAL INC (KY) 2016-06-08 — — EP disclosed
US-9186341-B2 GABA conjugates and methods of use thereof KYPHIA PHARMACEUTICALS, INC. (KY) 2015-11-17 — — US disclosed
US-20130035352-A1 GABA CONJUGATES AND METHODS OF USE THEREOF KYPHIA PHARMACEUTICALS, INC. (KY) 2013-02-07 — — US disclosed
US-8268887-B2 Drug conjugates and methods of use thereof KYPHIA PHARMACEUTICALS, INC. (KY) 2012-09-18 — — US disclosed
US-8030018-B2 Method for measuring enzymatic activity in vivo by use of laser SONY CORPORATION (JP) 2011-10-04 — — US disclosed
EP-2344447-A2 GABA CONJUGATES AND METHODS OF USE THEREOF Kyphia Pharmaceuticals, Inc. (US) 2011-07-20 — — EP disclosed
WO-2010056919-A2 EFLORNITHINE PRODRUGS, CONJUGATES AND SALTS, AND METHODS OF USE THEREOF KYPHIA PHARMACEUTICALS, INC. (US) 2010-05-20 — — WO disclosed
US-20100120727-A1 Eflornithine Prodrugs, Conjugates and Salts, and Methods of Use Thereof KYPHIA PHARMACEUTICALS, INC. (US) 2010-05-13 — — US disclosed
US-20100113497-A1 GABA CONJUGATES AND METHODS OF USE THEREOF KYPHIA PHARMACEUTICALS, INC. (US) 2010-05-06 — — US disclosed
WO-2010042759-A2 GABA CONJUGATES AND METHODS OF USE THEREOF KYPHIA PHARMACEUTICALS INC (US) 2010-04-15 — — WO disclosed
US-20080299541-A1 METHOD AND APPARATUS FOR MEASURING ENZYMATIC ACTIVITY BY USE OF LASER SONY CORPORATION (JP) 2008-12-04 — — US disclosed
EP-1997425-A1 Method and apparatus for measuring enzymatic activity by use of laser Sony Corporation (JP) 2008-12-03 — — EP disclosed
CN-101315332-A Method and apparatus for measuring enzymatic activity by use of laser SONY CORP (JP) 2008-12-03 — — CN 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 (5 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-20130035352-A1 GABA CONJUGATES AND METHODS OF USE THEREOF GABRA5, GABRB3, GABRB2 MAOB 252/4885ALDH1A1 160/4885HPGD 1255/4885
US-20100120727-A1 Eflornithine Prodrugs, Conjugates and Salts, and Methods of Use Thereof ESD, PTGER1, EFNA1 MAOB 1478/4885ALDH1A1 79/4885HPGD 49/4885
US-10478412-B2 GABA conjugates and methods of use thereof GABRA5, GABRB3, GABRB2 MAOB 252/4885ALDH1A1 160/4885HPGD 1255/4885
US-20160256558-A1 GABA CONJUGATES AND METHODS OF USE THEREOF GABRA5, GABRB3, GABRB2 MAOB 252/4885ALDH1A1 160/4885HPGD 1255/4885
US-20100113497-A1 GABA CONJUGATES AND METHODS OF USE THEREOF GABRA5, GABRB3, GABRB2 MAOB 252/4885ALDH1A1 160/4885HPGD 1255/4885

“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.