SCHEMBL19749935

SCHEMBL19749935

COC(=O)[C@H](CNCC(=O)OCc1ccccc1)NCC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KYNU Q16719 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ABCC3 O15438 1/20 0.44
NR1I2 O75469 1/20 0.44
ABCB11 O95342 1/20 0.44
NR3C1 P04150 1/20 0.44
RARG P13631 1/20 0.44
CNR1 P21554 1/20 0.44
OPRK1 P41145 1/20 0.44
NR1H2 P55055 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL18425051 0.87 KYNU (0.57) ALDH1A1KYNUTRPM8ALOX15
SCHEMBL15123091 0.87 KYNU (0.57) ALDH1A1KYNUTRPM8ALOX15
SCHEMBL15123090 0.87 KYNU (0.57) ALDH1A1KYNUTRPM8ALOX15
SCHEMBL24021073 0.86 ALDH1A1 (0.49) MAPTRAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL25840243 0.85 ALDH1A1 (0.47) MAPTRAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL23011534 0.85 ALDH1A1 (0.47) MAPTRAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL25840242 0.84 ALDH1A1 (0.46) MAPTRAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL23485564 0.84 ALDH1A1 (0.46) MAPTRAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL21657923 0.84 SIRT2 (0.48) ALDH1A1KMT2ACA2MEN1CA1
SCHEMBL18465773 0.83 MAPT (0.50) MAPTRAB9AALDH1A1MAPK1L3MBTL1

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
US-11667673-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-06-06 US disclosed
US-11021515-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-20210024575-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2021-01-28 US disclosed
US-20200339626-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2020-10-29 US disclosed
US-10717764-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2020-07-21 US disclosed
US-10689414-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10640534-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2020-05-05 US disclosed
US-20190315802-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2019-10-17 US disclosed
US-20190023737-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2019-01-24 US disclosed
US-20180194802-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2018-07-12 US disclosed
US-9850277-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2017-12-26 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 (10 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-20200339626-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A MAPT 4108/4885RAB9A 1519/4885ALDH1A1 413/4885
US-11021515-B2 Therapeutically active compounds and their methods of use IDH1, IDH3B, IDH3A MAPT 4108/4885RAB9A 1519/4885ALDH1A1 413/4885
US-10689414-B2 Therapeutically active compounds and their methods of use IDH1, IDH3B, IDH3A MAPT 4108/4885RAB9A 1519/4885ALDH1A1 413/4885
US-20210024575-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A MAPT 4108/4885RAB9A 1519/4885ALDH1A1 413/4885
US-11667673-B2 Therapeutically active compounds and their methods of use IDH1, IDH3B, IDH3A MAPT 4108/4885RAB9A 1519/4885ALDH1A1 413/4885
US-20180194802-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A MAPT 2648/4885RAB9A 1470/4885ALDH1A1 646/4885
US-10640534-B2 Therapeutically active compositions and their methods of use IDH1, IDH3B, IDH3A MAPT 2648/4885RAB9A 1470/4885ALDH1A1 646/4885
US-10717764-B2 Therapeutically active compounds and their methods of use IDH1, IDH3B, IDH3A MAPT 4108/4885RAB9A 1519/4885ALDH1A1 413/4885
US-20190023737-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A MAPT 4108/4885RAB9A 1519/4885ALDH1A1 413/4885
US-20190315802-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A MAPT 4108/4885RAB9A 1519/4885ALDH1A1 413/4885

“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.