SCHEMBL403027

SCHEMBL403027

Nc1cc(C(=O)O)ccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.46
KDM4E B2RXH2 10/20 0.45
GAA P10253 8/20 0.45
HSD17B10 Q99714 5/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
HPGD P15428 4/20 0.45
THRB P10828 3/20 0.45
GFER P55789 3/20 0.45
HTT P42858 1/20 0.45
PLEC Q15149 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
SRD5A2 P31213 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 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
SCHEMBL29835211 1.00 CDC25B (0.46) CDC25BKDM4EGAAHSD17B10ALDH1A1
SCHEMBL6066186 0.90 NOTUM (0.55) CDC25BKDM4EGAAHSD17B10ALDH1A1
SCHEMBL11337669 0.85 AR (0.43) KDM4EHSD17B10ALDH1A1AKR1C3AKR1C2
SCHEMBL498590 0.85 CDC25B (0.50) CDC25BKDM4EGAAHSD17B10ALDH1A1
SCHEMBL29518166 0.85 CDC25B (0.50) CDC25BKDM4EGAAHSD17B10ALDH1A1
SCHEMBL18748514 0.83 KIF11 (0.54) MAPTTDP1NPC1AKR1C3AKR1C2
SCHEMBL31319449 0.82 RXRA (0.48) KDM4EGAAMAPTRXRARXRB
SCHEMBL827082 0.82 RXRA (0.48) KDM4EGAAMAPTRXRARXRB
SCHEMBL3240455 0.81 CDC25B (0.50) CDC25BKDM4EGAAHSD17B10ALDH1A1
SCHEMBL14162090 0.81 KIF11 (0.37) KDM4EGAAHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178689-A Liquid crystal polymer and preparation method and application thereof 深圳大学 2023-05-30 CN claimed
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD (CN) 2024-09-12 US disclosed
CN-115052596-B ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-14 CN disclosed
CN-117136051-A Prodrugs of ADAMTS inhibitors, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-11-28 CN disclosed
CN-116178689-A Liquid crystal polymer and preparation method and application thereof 深圳大学 2023-05-30 CN disclosed
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 EP disclosed
WO-2022212638-A1 PRODRUGS OF ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2022-10-06 WO disclosed
CN-115052596-A ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-09-13 CN disclosed
EP-3122344-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2022-04-27 EP disclosed
US-20220009909-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-01-13 US disclosed
US-7335678-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBOTT LABORATORIES (US) 2008-02-26 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
CN-1863777-A Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2006-11-15 CN disclosed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBVIE INC. 2004-10-21 US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 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 (7 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-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 CDC25B 3024/4885KDM4E 3503/4885GAA 3843/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 CDC25B 3034/4885KDM4E 3541/4885GAA 3723/4885
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor TRPV1, TMEM109, GPR55 CDC25B 3490/4885KDM4E 2618/4885GAA 4170/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 CDC25B 2967/4885KDM4E 3541/4885GAA 3834/4885
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 CDC25B 1884/4885KDM4E 1614/4885GAA 449/4885
US-20220009909-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 CDC25B 1959/4885KDM4E 1605/4885GAA 468/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CDC25B 1308/4885KDM4E 2058/4885GAA 352/4885

“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.