Sugi Predict

Sugi Predict / Compounds / SCHEMBL14902251

SCHEMBL14902251

SCHEMBL14902251

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ TAS1R2 Q8TE23 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MGAM O43451 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 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
SCHEMBL16333024 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL28910688 0.90 ALDH1A1 (0.39) ALDH1A1GAATDP1TSHRMGAM
SCHEMBL20864018 0.80 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL20056670 0.80 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL2417430 0.79 MEN1 (0.46) ALDH1A1GAAHPGDTDP1TSHR
SCHEMBL13036378 0.77 CYP2C9 (0.50) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL12295563 0.77 CYP2C9 (0.50) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL20732426 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL8402243 0.77 CYP2C9 (0.50) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL5878163 0.77 ALDH1A1 (0.38) ALDH1A1GAATDP1TSHRMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 — — US disclosed
EP-2980089-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-12-20 — — EP disclosed
US-20170174682-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-22 — — US disclosed
US-9637483-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-02 — — US disclosed
CN-104271574-B Heterocyclic compounds 武田药品工业株式会社 2017-01-25 — — CN disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 — — US disclosed
US-9394324-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-07-19 — — US disclosed
US-9394324-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-07-19 — — US disclosed
US-20160039811-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 — — US disclosed
EP-2980089-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-03 — — EP disclosed
US-9085578-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-21 — — US disclosed
US-20150045349-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED 2015-02-12 — — US disclosed
EP-2818473-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-31 — — EP disclosed
US-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2013-05-02 — — US disclosed
US-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2013-05-02 — — 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 (5 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-20170174682-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ALDH1A1 3451/4885SMN1; SMN2 286/4885GAA 3601/4885
US-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 ALDH1A1 1539/4885SMN1; SMN2 3363/4885GAA 215/4885
US-20160039811-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ALDH1A1 3451/4885SMN1; SMN2 286/4885GAA 3601/4885
US-20150045349-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA ALDH1A1 4734/4885SMN1; SMN2 2576/4885GAA 3898/4885
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 ALDH1A1 1539/4885SMN1; SMN2 3363/4885GAA 215/4885

“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.