SCHEMBL46614

SCHEMBL46614

COC(=O)c1ccc(CC(=O)O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
GAA P10253 4/20 0.47
TSHR P16473 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NFKB1 P19838 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PTGS1 P23219 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
ABL1 P00519 1/20 0.45
MAPT P10636 5/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 4/20 0.44
POLB P06746 2/20 0.44
HSD17B10 Q99714 3/20 0.44
ALOX15 P16050 1/20 0.44
RGS12 O14924 1/20 0.43
APEX1 P27695 1/20 0.43
THPO P40225 1/20 0.43

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
SCHEMBL2331170 0.87 ALDH1A1 (0.50) CA2GAATSHRALDH1A1ABL1
SCHEMBL6379083 0.85 KDM4E (0.51) CA2GAATSHRALDH1A1NFKB1
SCHEMBL15777897 0.85 ABL1 (0.49) CA2GAATSHRALDH1A1TDP1
SCHEMBL29847225 0.84 FFAR4 (0.54) GAATSHRALDH1A1ABL1MAPT
SCHEMBL23582687 0.84 FFAR4 (0.54) GAATSHRALDH1A1ABL1MAPT
SCHEMBL1515906 0.83 CA12 (0.51) CA2GAATSHRALDH1A1ABL1
SCHEMBL7015377 0.83 ABL1 (0.47) CA2GAATSHRALDH1A1ABL1
SCHEMBL1827959 0.82 LOXL2 (0.54) CA2GAATSHRALDH1A1ABL1
SCHEMBL1830479 0.82 CYP4F2 (0.55) CA2GAATSHRALDH1A1ABL1
SCHEMBL26109493 0.82 SRD5A2 (0.56) CA2GAATSHRALDH1A1NFKB1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002285-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-08-29 EP disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-9862721-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-01-09 US disclosed
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 US disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
US-9636330-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-02 US disclosed
US-9636330-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-02 US disclosed
EP-2592081-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2017-03-08 EP disclosed
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2013-10-17 US disclosed
US-8481590-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
EP-2592081-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2013-05-15 EP disclosed
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-02 US disclosed
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-02 US disclosed
EP-2533637-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-11-22 US disclosed
WO-2012127885-A1 TETRAHYDROCARBOLINE DERIVATIVE 小野薬品工業株式会社 (JP) 2012-09-27 WO disclosed
WO-2012005227-A1 TETRAHYDROCARBOLINE DERIVATIVE 小野薬品工業株式会社 (JP) 2012-01-12 WO disclosed
WO-2011099978-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2011-08-18 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 (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-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 CA2 2570/4885GAA 786/4885TSHR 887/4885
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 CA2 1155/4885GAA 1173/4885TSHR 4610/4885
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 CA2 1210/4885GAA 1190/4885TSHR 4617/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 CA2 2570/4885GAA 786/4885TSHR 887/4885

“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.