SCHEMBL19703836

SCHEMBL19703836

CC(C)NC(=O)C(CC(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ CASP1 P29466 8/20 0.41
▸ MME P08473 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL26857613 0.85 ECE1 (0.43) ECE1TDP1CASP1MME
SCHEMBL25893776 0.83 ECE1 (0.49) ECE1CASP1ALDH1A1MEN1KMT2A
SCHEMBL21734333 0.81 ECE1 (0.56) ECE1MEN1KMT2A
SCHEMBL21566764 0.80 ECE1 (0.46) ECE1TDP1CASP1ALDH1A1LMNA
SCHEMBL22952374 0.78 ECE1 (0.44) ECE1TDP1CASP1MMEALDH1A1
SCHEMBL14355660 0.77 MME (0.38) TDP1MMEALDH1A1GAAMEN1
SCHEMBL9911498 0.77 MME (0.38) TDP1MMEALDH1A1GAAMEN1
SCHEMBL19194706 0.77 MME (0.38) TDP1MMEALDH1A1GAAMEN1
SCHEMBL18933821 0.77 ALDH1A1 (0.39) ECE1MMEALDH1A1GAAMEN1
SCHEMBL24259709 0.77 ECE1 (0.51) ECE1TDP1CASP1MMEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 — — US disclosed
US-11827906-B2 Adeno-associated virus (AAV) clade f vector and uses therefor THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-11-28 — — US disclosed
US-20230287451-A1 NOVEL AAV CAPSIDS AND COMPOSITIONS CONTAINING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2023-09-14 — — US disclosed
WO-2022262789-A1 ANTITUMOR COMPOUND AND USE THEREOF 明慧医药(杭州)有限公司 2022-12-22 — — WO disclosed
US-20220204990-A1 NOVEL AAV CAPSIDS AND COMPOSITIONS CONTAINING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2022-06-30 — — US disclosed
US-20220168330-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-02 — — US disclosed
US-20210170043-A1 DC-SIGN ANTIBODY CONJUGATES COMPRISING STING AGONISTS CHINOOK THERAPEUTICS, INC. 2021-06-10 — — US disclosed
US-10744205-B2 Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with anti-CD123-antibodies BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-08-18 — — US disclosed
EP-3086814-B1 DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) Bayer Pharma AG (DE) 2020-06-24 — — EP disclosed
US-10668167-B2 Glucocorticoid receptor agonist and immunoconjugates thereof ABBVIE INC. (US) 2020-06-02 — — US disclosed
US-20200056159-A1 NOVEL ADENO-ASSOCIATED VIRUS (AAV) CLADE F VECTOR AND USES THEREFOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2020-02-20 — — US disclosed
US-20190262465-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2019-08-29 — — US disclosed
US-10323127-B2 Poly(aspartic acid) derived co-polymers for a controlled release of perfuming ingredients FIRMENICH SA (CH) 2019-06-18 — — US disclosed
US-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2018-05-10 — — US disclosed
US-20180016396-A1 POLY(ASPARTIC ACID) DERIVED CO-POLYMERS FOR A CONTROLLED RELEASE OF PERFUMING INGREDIENTS FIRMENICH SA (CH) 2018-01-18 — — US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 — — US 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 (13 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-10744205-B2 Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with anti-CD123-antibodies KIF23, KIF2C, KIF18A ECE1 2180/4885TDP1 2967/4885CASP1 4368/4885
US-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R ECE1 2107/4885TDP1 3874/4885CASP1 2771/4885
US-20220168330-A1 ANTIBODY DRUG CONJUGATES STING1, CGAS, TBK1 ECE1 3474/4885TDP1 386/4885CASP1 1646/4885
US-20200056159-A1 NOVEL ADENO-ASSOCIATED VIRUS (AAV) CLADE F VECTOR AND USES THEREFOR VSIG8, ASNS, FARSB ECE1 3685/4885TDP1 918/4885CASP1 2712/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R ECE1 2802/4885TDP1 3200/4885CASP1 3198/4885
US-10668167-B2 Glucocorticoid receptor agonist and immunoconjugates thereof NR3C1, NR3C2, MC2R ECE1 2107/4885TDP1 3874/4885CASP1 2771/4885
US-20220204990-A1 NOVEL AAV CAPSIDS AND COMPOSITIONS CONTAINING SAME ELAVL1, ELAVL3, ANKRD54 ECE1 4319/4885TDP1 1446/4885CASP1 3032/4885
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT ECE1 1476/4885TDP1 1273/4885CASP1 2784/4885
US-20210170043-A1 DC-SIGN ANTIBODY CONJUGATES COMPRISING STING AGONISTS STING1, TLR9, TLR3 ECE1 2029/4885TDP1 870/4885CASP1 505/4885
US-11827906-B2 Adeno-associated virus (AAV) clade f vector and uses therefor ASNS, VSIG8, FARSB ECE1 3602/4885TDP1 1048/4885CASP1 2898/4885
US-20190262465-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R ECE1 2107/4885TDP1 3874/4885CASP1 2771/4885
US-10323127-B2 Poly(aspartic acid) derived co-polymers for a controlled release of perfuming ingredients PHGDH, PARG, ACLY ECE1 508/4885TDP1 2840/4885CASP1 570/4885
US-20230287451-A1 NOVEL AAV CAPSIDS AND COMPOSITIONS CONTAINING SAME ELAVL1, VSIG8, ELAVL3 ECE1 4060/4885TDP1 1293/4885CASP1 3021/4885

“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.

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