Sugi Predict

Sugi Predict / Compounds / SCHEMBL4041830

SCHEMBL4041830

SCHEMBL4041830

NC(=O)[C@H](CCc1ccccc1)NC[C@@H](O)[CH]Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ MME P08473 1/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ ADRA1D P25100 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ ADRA1B P35368 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ OPRM1 P35372 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
SCHEMBL4047002 0.78 EPHX1 (0.42) CNR2
SCHEMBL30882505 0.77 OPRK1 (0.49) ACEMMECYP2D6ADRA2AADRA1A
SCHEMBL30882671 0.77 OPRK1 (0.49) ACEMMECYP2D6ADRA2AADRA1A
Hydrochloric Acid SCHEMBL30882685 0.76 OPRK1 (0.48) ACEMMECYP2D6ADRA2AADRA1A
SCHEMBL4039325 0.75 EPHX1 (0.38) MMECYP2D6CYP1A2CYP2C19ADRB3
SCHEMBL5721977 0.74 TSHR (0.51) METAP2METAP1ACEMMEHPGD
SCHEMBL4039175 0.73 CYP2D6 (0.41) CYP2D6ALDH1A1HSD17B10SLC6A2SLC6A4
SCHEMBL3100693 0.72 ERAP1 (0.54) MMEERAP2ERAP1IL1RNLNPEP
SCHEMBL7649111 0.72 CNR2 (0.50) ACEMMEALDH1A1HPGDSMN1; SMN2
SCHEMBL13710939 0.72 TSHR (0.50) ACEMMEALDH1A1HPGDSMN1; SMN2

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
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 — — 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
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 — — EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 — — WO 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

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 METAP2 4295/4885METAP1 3600/4885ACE 1289/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS METAP2 4256/4885METAP1 3668/4885ACE 4306/4885

“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.