SCHEMBL3302698

SCHEMBL3302698

Cc1c(C(=O)O)c[nH]c1-c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.47
DHODH Q02127 3/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMO O15229 2/20 0.44
HDAC6 Q9UBN7 1/20 0.41
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
HSD11B1 P28845 2/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.38
C1R P00736 1/20 0.38
NOTUM Q6P988 2/20 0.38

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
SCHEMBL29410865 1.00 TAS2R14 (0.47) TAS2R14DHODHALDH1A1HPGDKMO
SCHEMBL31407282 0.87 PARP1 (0.46) TAS2R14ALDH1A1HPGDKMOCTNNB1
SCHEMBL29575721 0.85 NR4A2 (0.47) TAS2R14ALDH1A1HPGDKDM4E
SCHEMBL2024463 0.85 NR4A2 (0.47) TAS2R14ALDH1A1HPGDKDM4E
SCHEMBL16549389 0.83 KDM4E (0.56) ALDH1A1KDM4E
SCHEMBL2359387 0.82 EIF4E (0.41) TAS2R14DHODHALDH1A1HPGDHDAC6
SCHEMBL23275797 0.81 KDM4E (0.44) ALDH1A1KDM4E
SCHEMBL29410845 0.81 KDM4E (0.44) ALDH1A1KDM4E
SCHEMBL2541630 0.81 F7 (0.43) ALDH1A1KDM4ENOTUM
SCHEMBL30889359 0.80 KDM4E (0.45) ALDH1A1CTNNB1WNT3AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456098-B Preparation method of medicine Ai Shali ketone for treating diabetic nephropathy 大连理工大学 2024-06-14 CN claimed
CN-114456098-A Preparation method of diabetic nephropathy medicine namely elsamiloride 大连理工大学 2022-05-10 CN claimed
US-12527763-B2 Pyrrole amide compound and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2026-01-20 US disclosed
CN-114456098-B Preparation method of medicine Ai Shali ketone for treating diabetic nephropathy 大连理工大学 2024-06-14 CN disclosed
US-20220211665-A1 PYRROLE AMIDE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-07 US disclosed
CN-114702427-A Pyrrole amide compound and application thereof 年衍药业(珠海)有限公司 2022-07-05 CN disclosed
CN-114456098-A Preparation method of diabetic nephropathy medicine namely elsamiloride 大连理工大学 2022-05-10 CN disclosed
CN-112707854-B Pyrrole amide compound and application thereof 年衍药业(珠海)有限公司 2022-03-15 CN disclosed
EP-3950674-A1 PYRROLE AMIDE COMPOUND AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-02-09 EP disclosed
WO-2021078135-A1 PYRROLE AMIDE COMPOUND AND USE THEREOF 广东东阳光药业有限公司 2021-04-29 WO disclosed
CN-112707854-A Pyrrole amide compound and application thereof 广东东阳光药业有限公司 2021-04-27 CN disclosed
CN-105164105-A Crystal of pyrrole derivative and process for producing the same DAIICHI SANKYO CO LTD 2015-12-16 CN disclosed
US-8754118-B2 Atropisomer of pyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-06-17 US disclosed
US-20140024696-A1 ATROPISOMER OF PYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-23 US disclosed
US-8524918-B2 Atropisomer of pyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-03 US disclosed
US-20100093826-A1 ATROPISOMER OF PYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-04-15 US disclosed
EP-2133330-A1 ATROPISOMER OF PYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-12-16 EP disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 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-12527763-B2 Pyrrole amide compound and use thereof NR3C2, AVPR2, MC2R TAS2R14 539/4885DHODH 1374/4885ALDH1A1 2126/4885
US-20140024696-A1 ATROPISOMER OF PYRROLE DERIVATIVE CYP11B2, CYP11B1, PYCR1 TAS2R14 4282/4885DHODH 1684/4885ALDH1A1 840/4885
US-20100093826-A1 ATROPISOMER OF PYRROLE DERIVATIVE CYP11B2, CYP11B1, PYCR1 TAS2R14 4282/4885DHODH 1684/4885ALDH1A1 840/4885
US-20220211665-A1 PYRROLE AMIDE COMPOUND AND USE THEREOF MC2R, NR3C2, AVPR2 TAS2R14 1140/4885DHODH 1615/4885ALDH1A1 4130/4885

“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.