Sugi Predict

Sugi Predict / Compounds / SCHEMBL4043624

SCHEMBL4043624

SCHEMBL4043624

CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ FKBP1A P62942 2/20 0.39
▸ NR1H2 P55055 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ CACNA1A O00555 1/20 0.38
▸ CACNA2D1 P54289 1/20 0.38
▸ CACNB1 Q02641 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SETD7 Q8WTS6 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL14251810 0.92 MEN1 (0.43) MEN1ALDH1A1KMT2ATSHRFKBP1A
SCHEMBL2865263 0.92 MEN1 (0.43) MEN1ALDH1A1KMT2ATSHRFKBP1A
SCHEMBL4041583 0.86 HPGD (0.44) MEN1ALDH1A1KMT2ATSHRFKBP1A
SCHEMBL16931222 0.85 NR1H2 (0.47) ALDH1A1NR1H2MMP1MMP3MMP7
SCHEMBL16931220 0.85 NR1H2 (0.47) ALDH1A1NR1H2MMP1MMP3MMP7
SCHEMBL26427027 0.85 NR1H2 (0.47) ALDH1A1NR1H2MMP1MMP3MMP7
SCHEMBL27619275 0.84 ALDH1A1 (0.41) MEN1ALDH1A1KMT2ATSHRFKBP1A
SCHEMBL4040548 0.82 SETD7 (0.46) MEN1ALDH1A1KMT2ACACNA1ACACNA2D1
SCHEMBL20051384 0.82 HSD17B10 (0.43) MEN1ALDH1A1KMT2ANR1H2MMP1
SCHEMBL4038363 0.81 RECQL (0.49) MEN1ALDH1A1KMT2ATSHRFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 — — EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 — — EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 — — US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 — — US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 — — US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 — — EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 — — 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 MEN1 3865/4885ALDH1A1 3369/4885KMT2A 2686/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS MEN1 3716/4885ALDH1A1 4117/4885KMT2A 1910/4885

“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.