Sugi Predict

Sugi Predict / Compounds / SCHEMBL5497625

SCHEMBL5497625

SCHEMBL5497625

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ POLB P06746 1/20 0.38
▸ CASP3 P42574 3/20 0.37
▸ GPR3 P46089 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MME P08473 1/20 0.34
▸ MMEL1 Q495T6 1/20 0.34
▸ EPOR P19235 1/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ SLC22A3 O75751 1/20 0.33
▸ PKLR P30613 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
SCHEMBL25173083 0.89 POLB (0.38) CYP1A2TSHRPOLBCASP3GPR3
SCHEMBL30510259 0.88 CYP1A2 (0.38) CYP1A2TSHRPOLBGPR3KMT2A
SCHEMBL4599750 0.88 CYP1A2 (0.38) CYP1A2TSHRPOLBGPR3KMT2A
SCHEMBL1405820 0.88 CYP1A2 (0.38) CYP1A2TSHRPOLBGPR3KMT2A
SCHEMBL1405873 0.88 CYP1A2 (0.38) CYP1A2TSHRPOLBGPR3KMT2A
SCHEMBL16933112 0.87 CYP1A2 (0.39) CYP1A2TSHRPOLBGPR3KMT2A
SCHEMBL418100 0.87 CYP1A2 (0.38) CYP1A2TSHRPOLBGPR3KMT2A
SCHEMBL30510335 0.87 CYP1A2 (0.38) CYP1A2TSHRPOLBGPR3KMT2A
SCHEMBL8812896 0.87 CYP1A2 (0.38) CYP1A2TSHRPOLBGPR3KMT2A
SCHEMBL16933082 0.86 CYP1A2 (0.46) CYP1A2TSHRPOLBCASP3GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100816-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2007-08-08 — — EP disclosed
EP-1251827-B1 NASALLY ADMINISTRABLE ANTIFUNGAL CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2004-05-26 — — EP disclosed
US-6489440-B1 Cyclic compounds BASILEA PHARMACEUTICA AG (CH) 2002-12-03 — — US disclosed
EP-1251827-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS Basilea Pharmaceutica AG (CH) 2002-10-30 — — EP disclosed
US-20010038824-A1 Intranasal cyclic peptide formulations BASILEA PHARMACEUTICA AG (CH) 2001-11-08 — — US disclosed
WO-2001052894-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2001-07-26 — — WO disclosed
EP-1100816-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2001-05-23 — — EP disclosed
WO-2000005251-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2000-02-03 — — WO disclosed
WO-1991008190-A1 AMINO ACID PROTECTING GROUPS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-06-13 — — 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 (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-20010038824-A1 Intranasal cyclic peptide formulations VIP, NPPA, SSTR5 CYP1A2 4656/4885TSHR 1432/4885POLB 3956/4885

“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.