SCHEMBL20554332

SCHEMBL20554332

C=CC(=O)NC1CCOc2c1ccc(O)c2F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.35
SMYD3 Q9H7B4 1/20 0.34
KRAS P01116 2/20 0.34
TRPV1 Q8NER1 10/20 0.34
P2RX7 Q99572 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20554470 0.85 SMYD3 (0.34) TEAD1SMYD3TRPV1P2RX7
SCHEMBL20554837 0.85 P2RX7 (0.36) TEAD1SMYD3TRPV1P2RX7
SCHEMBL20554696 0.82 SMYD3 (0.33) TEAD1SMYD3TRPV1
SCHEMBL20554128 0.80 BTK (0.39) TEAD1TRPV1P2RX7
SCHEMBL30132537 0.78 PTGDR2 (0.36) TEAD1
SCHEMBL20554479 0.78 PTGDR2 (0.36) TEAD1
SCHEMBL20554852 0.78 MEN1 (0.42) TEAD1P2RX7ALDH1A1KMT2A
SCHEMBL30132579 0.78 MEN1 (0.42) TEAD1P2RX7ALDH1A1KMT2A
SCHEMBL20554841 0.77 TEAD1 (0.47) TEAD1P2RX7
SCHEMBL20608867 0.75 TRPV1 (0.36) TEAD1TRPV1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 US disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 US disclosed
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-12-09 US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 US disclosed
US-10787428-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2020-09-29 US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 EP disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 CN disclosed
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-01-10 US disclosed
EP-3401309-A1 a, ß UNSATURATED AMIDE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2018-11-14 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 (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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA TEAD1 1478/4885SMYD3 2404/4885KRAS 2291/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB TEAD1 1286/4885SMYD3 2503/4885KRAS 2330/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 TEAD1 1454/4885SMYD3 1548/4885KRAS 1801/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 TEAD1 1633/4885SMYD3 1529/4885KRAS 1746/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 TEAD1 1454/4885SMYD3 1548/4885KRAS 1801/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 TEAD1 1633/4885SMYD3 1529/4885KRAS 1746/4885

“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.