Sugi Predict

Sugi Predict / Compounds / SCHEMBL6029293

SCHEMBL6029293

SCHEMBL6029293

CCO[C@@H](C(=O)NCc1ccc(C(=N)NO)cc1Cl)n1cccc(Nc2ccccc2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PTGER3 P43115 10/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ EPHX2 P34913 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL6078414 1.00 TP53 (0.36) TP53F2PRSS1PTGER3CYP1A2
SCHEMBL6028237 0.91 F10 (0.36) TP53F2PRSS1PTGER3OPRK1
SCHEMBL6028232 0.91 F10 (0.36) TP53F2PRSS1PTGER3OPRK1
Acetic Acid SCHEMBL6077133 0.90 PRSS1 (0.43) TP53F2PRSS1PTGER3CYP1A2
SCHEMBL6077500 0.86 F10 (0.42) TP53F2PRSS1OPRK1MAPT
SCHEMBL6031766 0.86 F10 (0.42) TP53F2PRSS1OPRK1MAPT
SCHEMBL6028717 0.84 KMT2A (0.34) OPRK1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6028719 0.84 KMT2A (0.34) OPRK1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6028928 0.84 P2RX7 (0.41) TP53PTGER3CYP1A2OPRK1ALDH1A1
SCHEMBL6078667 0.84 P2RX7 (0.41) TP53PTGER3CYP1A2OPRK1ALDH1A1

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
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 — — US claimed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 — — US claimed
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 — — EP disclosed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 — — US disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 — — 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 (1 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 TP53 3971/4885F2 7/4885PRSS1 311/4885

“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.