Sugi Predict

Sugi Predict / Compounds / SCHEMBL20116210

SCHEMBL20116210

SCHEMBL20116210

CCOC(=O)C(C(=O)OCC)c1cncc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ MMP8 P22894 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ POLB P06746 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL2580431 0.83 ALDH1A1 (0.38) CYP2C9CYP2C19HTTMMP8CYP1A2
SCHEMBL1433150 0.76 SMN1; SMN2 (0.43) MMP8GAAMEN1KMT2AALDH1A1
SCHEMBL3750331 0.76 CYP1A2 (0.47) HTTMMP8CYP1A2GAAMEN1
SCHEMBL17427962 0.76 HTT (0.44) HTTMMP8GAANPSR1MEN1
SCHEMBL11680132 0.75 CYP2C9 (0.32) CYP2C9CYP2C19MMP8ALDH1A1LMNA
Methane SCHEMBL11679474 0.75 SMN1; SMN2 (0.42) MMP8GAAMEN1KMT2AALDH1A1
SCHEMBL11678482 0.74 ACHE (0.32) CYP2C9CYP2C19MMP8ALDH1A1LMNA
SCHEMBL4338257 0.71 CYP1A2 (0.55) CYP2C9CYP2C19CYP1A2GAAMEN1
SCHEMBL17396824 0.70 MEN1 (0.45) CYP2C19HTTCYP1A2GAANPSR1
SCHEMBL7652517 0.69 HTT (0.51) HTTMMP8CYP1A2GAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 — — CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 — — CN disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 — — US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 — — WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 — — WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 — — 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 CYP2C9 1658/4885CYP2C19 1758/4885HTT 6/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CYP2C9 1658/4885CYP2C19 1758/4885HTT 6/4885

“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.