SCHEMBL1935484

SCHEMBL1935484

O=Cc1ccc(CNC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MAPT P10636 1/20 0.44
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 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
SCHEMBL11533429 0.85 CYP2C9 (0.65) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL8602062 0.83 CYP2C9 (0.59) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL13920457 0.82 EPHX2 (0.54) EPHX2NR1H4CYP2C19CYP2C9ALDH1A1
SCHEMBL3113924 0.82 KMT2A (0.59) EPHX2NR1H4ALDH1A1SMN1; SMN2HDAC3
SCHEMBL14341628 0.82 CYP2D6 (0.50) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL2701023 0.82 CYP2C9 (0.61) EPHX2NR1H4CYP2C19CYP2C9ALDH1A1
SCHEMBL1935713 0.81 MMP1 (0.46) ALDH1A1LMNASMN1; SMN2MAPTMMP1
SCHEMBL22060061 0.79 EPHX2 (0.55) EPHX2NR1H4ALDH1A1LMNAHDAC3
SCHEMBL28424688 0.79 NR1H4 (0.71) EPHX2NR1H4ALDH1A1HDAC3HDAC1
SCHEMBL28430381 0.79 NR1H4 (0.71) EPHX2NR1H4ALDH1A1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107615-A1 OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-23 WO disclosed
EP-3921320-B1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEIGENE LTD (KY) 2024-03-06 EP disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-11673889-B2 Substituted imidazo[4,5-c][1,8]naphthyridines as phosphodiesterase inhibitors NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-06-13 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-20230014730-A1 PHOSPHODIESTERASE INHIBITORS AND USE NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-01-19 US disclosed
US-20220220114-A1 PHOSPHODIESTERASE INHIBITORS AND USE NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2022-07-14 US disclosed
US-20220119394-A1 IMIDAZO[2,1-F][1,2,4]TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEONE MEDICINES I GMBH (CH) 2022-04-21 US disclosed
WO-2021061803-A1 PHOSPHODIESTERASE INHIBITORS AND USE NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2021-04-01 WO disclosed
US-10730862-B2 Compounds and methods for the enhanced degradation of targeted proteins and other polypeptides by an E3 ubiquitin ligase YALE UNIVERSITY (US) 2020-08-04 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
EP-2042503-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 WO disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP disclosed
WO-2002089782-A2 DIOXANES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2002-11-14 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 (10 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 EPHX2 428/4885NR1H4 69/4885CYP2D6 12/4885
US-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 EPHX2 503/4885NR1H4 261/4885CYP2D6 4572/4885
US-10730862-B2 Compounds and methods for the enhanced degradation of targeted proteins and other polypeptides by an E3 ubiquitin ligase VHL, MDM2, NEDD4 EPHX2 2234/4885NR1H4 1895/4885CYP2D6 4340/4885
US-20220119394-A1 IMIDAZO[2,1-F][1,2,4]TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST TLR7, TLR1, TLR3 EPHX2 4059/4885NR1H4 140/4885CYP2D6 3114/4885
US-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 EPHX2 4561/4885NR1H4 3703/4885CYP2D6 1890/4885
US-11673889-B2 Substituted imidazo[4,5-c][1,8]naphthyridines as phosphodiesterase inhibitors ENPP1, ENPP3, PDE4A EPHX2 1081/4885NR1H4 2579/4885CYP2D6 1106/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT EPHX2 3561/4885NR1H4 1973/4885CYP2D6 3019/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 EPHX2 503/4885NR1H4 281/4885CYP2D6 4687/4885
US-20220220114-A1 PHOSPHODIESTERASE INHIBITORS AND USE ENPP1, ENPP3, PDE4A EPHX2 705/4885NR1H4 4183/4885CYP2D6 2707/4885
US-20230014730-A1 PHOSPHODIESTERASE INHIBITORS AND USE ENPP1, ENPP3, PDE4A EPHX2 705/4885NR1H4 4183/4885CYP2D6 2707/4885

“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.