Sugi Predict

Sugi Predict / Compounds / SCHEMBL19780124

SCHEMBL19780124

SCHEMBL19780124

CCOC(=O)C(=O)NNC(=O)Cc1cc(F)c2ncc(Cl)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PTPN1 P18031 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ GPR35 Q9HC97 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ MME P08473 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CACNA1H O95180 1/20 0.33

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
SCHEMBL21179353 0.84 KLKB1 (0.36) ALDH1A1MAPTKLKB1CACNA1H
SCHEMBL21190095 0.82 NPSR1 (0.33) GAAALDH1A1TDP1SMN1; SMN2PTPN1
SCHEMBL19779818 0.81 ALDH1A1 (0.43) GAAALDH1A1TDP1SMN1; SMN2PTPN1
SCHEMBL19779862 0.80 S1PR3 (0.38) GAAALDH1A1PTPN1S1PR3RORC
SCHEMBL19779861 0.77 CYP1A2 (0.38) RORCKLKB1CACNA1H
SCHEMBL21179410 0.77 HSP90AB1 (0.42) GAAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL19780593 0.74 KLKB1 (0.37) SMN1; SMN2KLKB1
SCHEMBL28837322 0.74 GAA (0.51) GAAALDH1A1TDP1SMN1; SMN2PTPN1
SCHEMBL21180353 0.74 KLKB1 (0.33) ALDH1A1SMN1; SMN2KDM4ES1PR1S1PR3
SCHEMBL21180352 0.74 KLKB1 (0.33) ALDH1A1SMN1; SMN2KDM4ES1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 — — US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 — — US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 — — US disclosed
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 — — WO disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 — — US disclosed
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 — — WO 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 (4 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-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 GAA 593/4885ALDH1A1 1717/4885TDP1 3331/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 GAA 593/4885ALDH1A1 1717/4885TDP1 3331/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 GAA 593/4885ALDH1A1 1717/4885TDP1 3331/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 GAA 593/4885ALDH1A1 1717/4885TDP1 3331/4885

“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.