Sugi Predict

Sugi Predict / Compounds / SCHEMBL2430779

SCHEMBL2430779

SCHEMBL2430779

Cc1cc(C(N)=O)cc(C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.47
▸ ACHE P22303 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ POLB P06746 3/20 0.42
▸ DHODH Q02127 4/20 0.42
▸ PARP1 P09874 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TPMT P51580 1/20 0.39
▸ GRM1 Q13255 2/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL1397262 0.86 POLB (0.50) CYP3A4SMN1; SMN2POLBDHODHPARP1
SCHEMBL69007 0.83 TPMT (0.56) CYP3A4ACHEALDH1A1SMN1; SMN2MAPK1
SCHEMBL26927748 0.82 TPMT (0.50) CYP3A4ACHEALDH1A1SMN1; SMN2MAPK1
SCHEMBL28467304 0.80 HPGD (0.39) CYP3A4ACHEALDH1A1SMN1; SMN2MAPK1
SCHEMBL18471225 0.78 SMN1; SMN2 (0.49) CYP3A4ALDH1A1SMN1; SMN2POLBDHODH
SCHEMBL10831613 0.78 PARP1 (0.46) CYP3A4SMN1; SMN2POLBDHODHPARP1
SCHEMBL28467305 0.78 HPGD (0.38) CYP3A4ACHEALDH1A1SMN1; SMN2MAPK1
Terephthalic Acid SCHEMBL7823824 0.77 ALDH1A1 (0.56) CYP3A4ACHEALDH1A1SMN1; SMN2POLB
SCHEMBL13545162 0.77 KMT2A (0.44) CYP3A4ALDH1A1MAPK1POLBPARP1
SCHEMBL13543241 0.77 POLB (0.39) CYP3A4ALDH1A1SMN1; SMN2POLBDHODH

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026032-B Method for producing optically active 4-carbamoyl-2, 6-dimethylphenylalanine derivative 株式会社钟化 2020-09-29 — — CN claimed
CN-111278825-B Diazaspiro ROCK inhibitors 百时美施贵宝公司 2023-05-02 — — CN disclosed
EP-3704121-B1 DIAZASPIRO ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-12-21 — — EP disclosed
US-11192891-B2 Diazaspiro ROCK inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-07 — — US disclosed
US-20210284626-A1 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-09-16 — — US disclosed
US-20210188848-A1 DIAZASPIRO ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 — — US disclosed
US-20210128753-A1 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-05-06 — — US disclosed
CN-108026032-B Method for producing optically active 4-carbamoyl-2, 6-dimethylphenylalanine derivative 株式会社钟化 2020-09-29 — — CN disclosed
CN-108026032-B Method for producing optically active 4-carbamoyl-2, 6-dimethylphenylalanine derivative 株式会社钟化 2020-09-29 — — CN disclosed
EP-3704121-A1 DIAZASPIRO ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2020-09-09 — — EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 — — EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 — — US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 — — WO disclosed
US-20070036725-A1 Imaging of protease activity in live cells using activity based probes THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-02-15 — — US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 — — EP disclosed
US-5158936-A Treating or prevention of tissue damage, inflammation, bone resporpption and muscular dystrophy SYNTEX (U.S.A.) INC. (US) 1992-10-27 — — US disclosed
US-5055451-A Prevent tissue damage SYNTEX INC. (US) 1991-10-08 — — US disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 — — 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-20210128753-A1 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE DNPEP, CTSF, CTSE CYP3A4 1492/4885ACHE 122/4885ALDH1A1 2335/4885
US-20210284626-A1 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE DNPEP, CTSF, CTSE CYP3A4 1492/4885ACHE 122/4885ALDH1A1 2335/4885
US-11192891-B2 Diazaspiro ROCK inhibitors ROCK1, MYLK, ROCK2 CYP3A4 3725/4885ACHE 1209/4885ALDH1A1 3327/4885
US-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 CYP3A4 142/4885ACHE 158/4885ALDH1A1 323/4885
US-20070036725-A1 Imaging of protease activity in live cells using activity based probes CTSE, CTSK, CTSZ CYP3A4 2134/4885ACHE 563/4885ALDH1A1 3122/4885
US-20210188848-A1 DIAZASPIRO ROCK INHIBITORS ROCK1, MYLK, ROCK2 CYP3A4 3725/4885ACHE 1209/4885ALDH1A1 3327/4885

“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.