SCHEMBL4367459

SCHEMBL4367459

Cc1cc(Br)oc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
APEX1 P27695 1/20 0.42
MCL1 Q07820 4/20 0.39
GPR35 Q9HC97 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 3/20 0.35
PIM1 P11309 1/20 0.34
TPMT P51580 1/20 0.33
MAPT P10636 1/20 0.33
DAO P14920 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29390370 0.80 KMT2A (0.50) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL2171267 0.78 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL28264880 0.78 MEN1 (0.34) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL22870271 0.78 GAA (0.38) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL6942194 0.77 KMT2A (0.59) KMT2AMEN1APEX1MCL1GPR35
SCHEMBL6690917 0.77 CYP1A2 (0.39) KMT2AMEN1MCL1GPR35ALDH1A1
SCHEMBL7376159 0.77 KMT2A (0.59) KMT2AMEN1APEX1MCL1GPR35
SCHEMBL28443819 0.76 KMT2A (0.57) KMT2AMEN1APEX1MCL1GPR35
SCHEMBL15349677 0.76 KMT2A (0.57) KMT2AMEN1APEX1MCL1GPR35
SCHEMBL8978501 0.76 GPR35 (0.44) KMT2AMEN1GPR35CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023110138-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-22 WO disclosed
EP-4192813-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2023-06-14 EP disclosed
WO-2023275336-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
EP-3490549-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE Dermira, Inc. (US) 2019-06-05 EP disclosed
WO-2018022797-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE DERMIRA INC. (US) 2018-02-01 WO disclosed
US-20180028487-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE DERMIRA, INC. 2018-02-01 US disclosed
US-20090291915-A1 Silicon Compounds and Their Use TAKEDA CAMBRIDGE LIMITED (GB) 2009-11-26 US disclosed
CN-101080413-A Silicon compounds and their use TAKEDA CAMBRIDGE LTD (GB) 2007-11-28 CN disclosed
EP-1824862-A1 SILICON COMPOUNDS AND THEIR USE Takeda Cambridge Limited (GB) 2007-08-29 EP disclosed
WO-2006064263-A1 SILICON COMPOUNDS AND THEIR USE TAKEDA CAMBRIDGE LIMITED (GB) 2006-06-22 WO disclosed
EP-1487827-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
CN-1507442-A Furan and thiophene derivatives that activate human peroxisome proliferator activated receptors 2004-06-23 CN disclosed
WO-2003082862-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-09 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 (2 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-20180028487-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE CUTA, CYP1A2, DPM1 KMT2A 339/4885MEN1 3030/4885APEX1 3615/4885
US-20090291915-A1 Silicon Compounds and Their Use SOST, SIK2, SIK3 KMT2A 600/4885MEN1 88/4885APEX1 3582/4885

“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.