Sugi Predict

Sugi Predict / Compounds / SCHEMBL20135076

SCHEMBL20135076

SCHEMBL20135076

COCC(C)(C)C1(c2ccc(C(=O)N3CCN(c4ncc(C)cc4C)CC3)cc2)NC(=O)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ADAMTS5 Q9UNA0 6/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ PKM P14618 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL20135467 0.90 ADAM17 (0.35) ADAM17ALDH1A1MAPK1ADAMTS5MMP2
SCHEMBL20135021 0.89 ALDH1A1 (0.38) ADAM17ALDH1A1MAPK1CFTRKDM4E
SCHEMBL20135515 0.89 ALDH1A1 (0.40) ALDH1A1MAPK1CFTRKDM4EADAMTS5
SCHEMBL29688956 0.89 ALDH1A1 (0.40) ALDH1A1MAPK1CFTRKDM4EADAMTS5
SCHEMBL20135567 0.88 ADAM17 (0.36) ADAM17ALDH1A1MAPK1CFTRKDM4E
SCHEMBL20135490 0.86 MEN1 (0.41) ADAM17ALDH1A1MAPK1KDM4EADAMTS5
SCHEMBL20134800 0.83 ADAM17 (0.46) ADAM17ALDH1A1ADAMTS5MMP2
SCHEMBL20134766 0.83 ADAM17 (0.46) ADAM17ALDH1A1ADAMTS5MMP2
SCHEMBL20134767 0.83 ADAM17 (0.46) ADAM17ALDH1A1ADAMTS5MMP2
SCHEMBL29688658 0.83 ADAM17 (0.46) ADAM17ALDH1A1ADAMTS5MMP2

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
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 — — CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 — — US disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 — — US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 — — US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 — — US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 — — 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 (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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 ADAM17 36/4885ALDH1A1 584/4885MAPK1 377/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 ADAM17 39/4885ALDH1A1 610/4885MAPK1 270/4885

“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.