SCHEMBL4861358

SCHEMBL4861358

CCOC(=O)COc1ccc(N)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 2/20 0.48
ESR1 P03372 1/20 0.45
LMNA P02545 2/20 0.45
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
PABPC1 P11940 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
F9 P00740 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
SCHEMBL4861445 0.85 MAPK1 (0.57) MAPK1ALDH1A1ESR1CASP3CASP7
SCHEMBL9272260 0.85 ALDH1A1 (0.50) ALDH1A1ESR1LMNACASP3CASP7
SCHEMBL13239750 0.85 LMNA (0.58) MAPK1ALDH1A1ESR1LMNACASP3
SCHEMBL29536561 0.85 LMNA (0.58) MAPK1ALDH1A1ESR1LMNACASP3
SCHEMBL15244044 0.85 TNF (0.46) MAPK1ALDH1A1CASP7USP2KDM4E
SCHEMBL13215154 0.84 MAPK1 (0.56) MAPK1ALDH1A1ESR1CASP3CASP7
SCHEMBL4776200 0.84 ESR1 (0.49) ALDH1A1ESR1LMNACASP3CASP7
SCHEMBL3531540 0.82 ALDH1A1 (0.56) MAPK1ALDH1A1LMNANPSR1KDM4E
SCHEMBL2839402 0.82 ALDH1A1 (0.58) MAPK1ALDH1A1ESR1CASP3CASP7
SCHEMBL22139067 0.82 TNKS2 (0.51) ALDH1A1ESR1LMNACASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905230-B2 Phenoxyacetic acid derivatives, preparation method thereof and use thereof as medicament CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-02-20 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 WO disclosed
US-20210122704-A1 NOVEL PHENOXUACETIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND USES OF DERIVATIVE AS DRUG CHINA PHARMACEUTICAL UNIVERSITY (CN) 2021-04-29 US disclosed
US-20210122704-A1 NOVEL PHENOXUACETIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND USES OF DERIVATIVE AS DRUG CHINA PHARMACEUTICAL UNIVERSITY (CN) 2021-04-29 US disclosed
CN-107162921-B Phenoxyacetic acid derivatives, preparation method thereof and application thereof as medicines 中国药科大学 2019-12-13 CN disclosed
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 US disclosed
US-20040220253-A1 Synthesis of pyrrole amides PFIZER INC. 2004-11-04 US disclosed
EP-1339681-A1 SYNTHESIS OF FUSED PYRROLECARBOXAMIDES Pfizer Products Inc. (US) 2003-09-03 EP disclosed
US-20020151718-A1 Synthesis of pyrrole amides PFIZER INC. 2002-10-17 US disclosed
WO-2002046155-A1 SYNTHESIS OF FUSED PYRROLECARBOXAMIDES PFIZER PRODUCTS INC. (US) 2002-06-13 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 (6 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 MAPK1 91/4885ALDH1A1 1859/4885ESR1 1046/4885
US-20040220253-A1 Synthesis of pyrrole amides GABRA5, GABRA2, GABRA1 MAPK1 3808/4885ALDH1A1 390/4885ESR1 2401/4885
US-11905230-B2 Phenoxyacetic acid derivatives, preparation method thereof and use thereof as medicament SLC5A1, PYGL, GPR119 MAPK1 621/4885ALDH1A1 221/4885ESR1 3837/4885
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG MAPK1 1700/4885ALDH1A1 464/4885ESR1 1044/4885
US-20020151718-A1 Synthesis of pyrrole amides GABRA5, GABRA2, GABRA1 MAPK1 3808/4885ALDH1A1 390/4885ESR1 2401/4885
US-20210122704-A1 NOVEL PHENOXUACETIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND USES OF DERIVATIVE AS DRUG GOT1, CYP4A11, SLC5A1 MAPK1 733/4885ALDH1A1 226/4885ESR1 3091/4885

“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.