SCHEMBL3621168

SCHEMBL3621168

COc1ccc(C(F)C(=O)O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
FFAR1 O14842 1/20 0.47
ACHE P22303 1/20 0.45
LDHA P00338 1/20 0.45
MEP1B Q16820 1/20 0.45
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
APP P05067 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TUBB1 Q9H4B7 2/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL14856243 0.87 BLM (0.47) LMNAMAPK1HTTRAB9AACHE
SCHEMBL10618539 0.86 ACHE (0.59) MAPK1ACHELDHABLMNPSR1
SCHEMBL30536168 0.83 BLM (0.64) LMNAMAPK1HTTRAB9AFFAR1
SCHEMBL3667658 0.83 PTGS2 (0.61) LMNAMAPK1HTTRAB9ATSHR
SCHEMBL3817028 0.82 LMNA (0.54) LMNAMAPK1HTTRAB9AFFAR1
SCHEMBL9513688 0.80 FFAR1 (0.56) LMNAMAPK1HTTRAB9AFFAR1
SCHEMBL16798294 0.78 LMNA (0.47) LMNAMAPK1HTTRAB9AFFAR1
SCHEMBL4513011 0.78 CES2 (0.50) LMNATSHRAPPCYP2C19PTGS2
SCHEMBL20379539 0.78 FFAR1 (0.57) LMNAMAPK1HTTRAB9AFFAR1
SCHEMBL7978440 0.77 GRM8 (0.54) RAB9ATSHRTUBB1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380682-A Synthesis method of 2, 3-difluoro-4-methoxyphenylacetic acid 上海毕得医药科技股份有限公司 2022-04-22 CN claimed
CN-114380682-A Synthesis method of 2, 3-difluoro-4-methoxyphenylacetic acid 上海毕得医药科技股份有限公司 2022-04-22 CN disclosed
CN-114380682-A Synthesis method of 2, 3-difluoro-4-methoxyphenylacetic acid 上海毕得医药科技股份有限公司 2022-04-22 CN disclosed
CN-114380682-A Synthesis method of 2, 3-difluoro-4-methoxyphenylacetic acid 上海毕得医药科技股份有限公司 2022-04-22 CN disclosed
US-20100120730-A1 6-BENZYL-2,3,4,7-TETRAHYDRO-INDOLO [2,3-C] QUINOLINE COMPOUNDS USEFUL AS PDE5 INHIBITORS NYCOMED GMBH (DE) 2010-05-13 US disclosed
EP-2109610-A1 6-BENZYL-2,3,4,7-TETRAHYDRO-INDOLO [2, 3-C] QUINOLINE COMPOUNDS USEFUL AS PDE5 INHIBITORS Nycomed GmbH (DE) 2009-10-21 EP disclosed
WO-2008095835-A1 6-BENZYL-2,3,4,7-TETRAHYDRO-INDOLO [2, 3-C] QUINOLINE COMPOUNDS USEFUL AS PDE5 INHIBITORS NYCOMED GMBH (DE) 2008-08-14 WO disclosed
EP-1953159-A1 6-Benzyl-2,3,4,7-tetrahydro-indolo[2,3-c]quinoline compounds useful as PDE5 inhibitors Nycomed GmbH (DE) 2008-08-06 EP 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 (1 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-20100120730-A1 6-BENZYL-2,3,4,7-TETRAHYDRO-INDOLO [2,3-C] QUINOLINE COMPOUNDS USEFUL AS PDE5 INHIBITORS PDE5A, PDE3A, PDE2A LMNA 2585/4885MAPK1 1189/4885HTT 4434/4885

“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.