Sugi Predict

Sugi Predict / Compounds / SCHEMBL22975158

SCHEMBL22975158

SCHEMBL22975158

CCOC(=O)C(CCCN1C(=O)c2ccccc2C1=O)CC(C)(C)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.44
▸ NPSR1 Q6W5P4 5/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ TSHR P16473 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 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
SCHEMBL23010072 0.91 ALDH1A1 (0.44) ALDH1A1NPSR1MAPTMMP2MMP3
SCHEMBL7260273 0.81 ALDH1A1 (0.48) ALDH1A1NPSR1MAPTMMP2MMP3
SCHEMBL26939071 0.81 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL26939070 0.81 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL8888720 0.75 TDP1 (0.51) ALDH1A1NPSR1MAPTMMP2MMP9
SCHEMBL22975155 0.74 CPB2 (0.38) MAPTCYP1A2CYP2C19KMT2ALMNA
SCHEMBL23009915 0.74 CPB2 (0.38) MAPTCYP1A2CYP2C19KMT2ALMNA
SCHEMBL5526889 0.74 ALDH1A1 (0.48) ALDH1A1NPSR1MAPTGAATSHR
SCHEMBL21244382 0.72 CYP1A2 (0.40) ALDH1A1MAPTGAATSHRCYP1A2
SCHEMBL26939069 0.72 TDP1 (0.50) CYP1A2CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122788-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-22 — — US disclosed
EP-4013741-B1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMA (US) 2024-04-17 — — EP disclosed
CN-114555556-B Process for preparing CFTR modulators 弗特克斯药品有限公司 2024-03-29 — — CN disclosed
US-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-12-14 — — US disclosed
US-11584761-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-21 — — US disclosed
EP-4013741-A1 PROCESS OF MAKING CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2022-06-22 — — EP disclosed
CN-114555556-A Methods of making CFTR modulators 弗特克斯药品有限公司 2022-05-27 — — CN disclosed
WO-2021030554-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 — — WO disclosed
WO-2021030554-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 — — WO disclosed
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2021-02-18 — — 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 (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-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 ALDH1A1 2009/4885NPSR1 1878/4885MAPT 4855/4885
US-11584761-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 ALDH1A1 2009/4885NPSR1 1878/4885MAPT 4855/4885
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 ALDH1A1 2009/4885NPSR1 1878/4885MAPT 4855/4885
US-12122788-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 ALDH1A1 2009/4885NPSR1 1878/4885MAPT 4855/4885

“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.