SCHEMBL4019989

SCHEMBL4019989

CC(C)(C)NC(=O)OCc1ccc(CN)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.54
PRSS1 P07477 3/20 0.54
TPSD1 Q9BZJ3 1/20 0.54
TPSG1 Q9NRR2 1/20 0.54
PLG P00747 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.41
NAAA Q02083 1/20 0.40
CTSS P25774 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL27729895 0.88 LOXL2 (0.48) TPSAB1PRSS1TPSD1TPSG1PLG
SCHEMBL2173527 0.87 MEN1 (0.43) TPSAB1PRSS1TPSD1TPSG1PLG
SCHEMBL27571682 0.86 TSHR (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28861927 0.85 NPC1 (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27811154 0.85 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27832835 0.84 LOXL2 (0.44) TPSAB1PRSS1TPSD1TPSG1PLG
SCHEMBL27805750 0.83 MEN1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27848344 0.83 MEN1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28861926 0.83 MAPT (0.56) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27729183 0.83 MEN1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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
WO-2021121396-A1 TRICYCLIC COMPOUND THAT ACTS AS PLASMA KALLIKREIN INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2021-06-24 WO disclosed
CN-108770357-A Polymer combined vaccine 芝加哥大学 2018-11-06 CN disclosed
CN-108350062-A Targeting proteins are degraded to weaken the relevant bad inflammatory reaction of adoptive T cell therapy 达纳-法伯癌症研究所股份有限公司 2018-07-31 CN disclosed
CN-107257800-A Method for inducing target protein degradation by bifunctional molecules 达纳-法伯癌症研究所股份有限公司 2017-10-17 CN disclosed
CN-101528680-A New phenylsulfamoyl benzamide derivatives as bradykinin antagonists RICHTER GEDEON NYRT (HU) 2009-09-09 CN disclosed
US-7482487-B2 Phenylaminoethanol derivatives as β2 receptor agonists PFIZER INC (US) 2009-01-27 US disclosed
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists BROWN ALAN D 2007-11-15 US disclosed
EP-1577292-A1 Phenylaminoethanol derivatives as beta2 receptor agonists Pfizer Limited (GB) 2005-09-21 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-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists ADRB2, ADRB1, ADRA2C TPSAB1 35/4885PRSS1 2379/4885TPSD1 43/4885

“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.