SCHEMBL21639308

SCHEMBL21639308

N#CCOc1cc(Br)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ ERN1 O75460 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CYP2A6 P11509 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CTDSP1 Q9GZU7 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
SCHEMBL30457873 1.00 PTGDR2 (0.44) PTGDR2ERN1TP53HPGDALDH1A1
SCHEMBL7634896 0.87 PTGDR2 (0.59) PTGDR2ERN1TP53HPGDALDH1A1
SCHEMBL15240136 0.84 HPGD (0.55) PTGDR2ERN1HPGDALDH1A1HTT
SCHEMBL20540458 0.83 PTGDR2 (0.44) PTGDR2ERN1HPGDALDH1A1HTT
SCHEMBL30617434 0.83 PTGDR2 (0.44) PTGDR2ERN1HPGDALDH1A1HTT
SCHEMBL17182744 0.81 ALDH1A1 (0.41) ERN1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL28771891 0.80 PTGDR2 (0.49) PTGDR2ERN1HPGDALDH1A1HTT
SCHEMBL22636353 0.79 TP53 (0.40) PTGDR2TP53HPGDALDH1A1SMN1; SMN2
SCHEMBL7817452 0.78 ALDH1A1 (0.63) ERN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL20505239 0.78 LMNA (0.59) PTGDR2ERN1HPGDALDH1A1HTT

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-3604326-B1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORP (JP) 2026-01-07 — — EP disclosed
CN-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 — — CN disclosed
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 — — US disclosed
WO-2020225077-A1 PYRIMIDO[4,5-B]INDOL DERIVATIVES AS PDHK1 INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-11-12 — — WO disclosed
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 — — US disclosed
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 — — EP disclosed
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 — — 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-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 PTGDR2 3104/4885ERN1 2793/4885TP53 1409/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 PTGDR2 3104/4885ERN1 2793/4885TP53 1409/4885

“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.

Send feedback