SCHEMBL25336940

SCHEMBL25336940

O=C(O)[C@H](Cc1ccc(I)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 3/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ PTPN1 P18031 2/20 0.43
▸ ALPI P09923 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ XIAP P98170 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CPA1 P15085 1/20 0.40
▸ CPA3 P15088 1/20 0.40
▸ FOLH1 Q04609 1/20 0.40

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
SCHEMBL25336942 1.00 FPR2 (0.46) FPR2CYP1A2PTPN1ALPIPKM
SCHEMBL8202673 0.90 CYP1A2 (0.53) CYP1A2PTPN1ALPIPKMPTGS1
SCHEMBL2319694 0.90 CYP1A2 (0.53) CYP1A2PTPN1ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL6336814 0.89 CYP1A2 (0.52) CYP1A2PTPN1ALPIPKMPTGS1
SCHEMBL27799946 0.86 SLC7A5 (0.49) CYP1A2PTPN1ALPIPKMPTGS1
SCHEMBL3800018 0.84 MME (0.49) FPR2CYP1A2
SCHEMBL18039536 0.84 MME (0.49) FPR2CYP1A2
SCHEMBL21295478 0.84 EPOR (0.43) FPR2
SCHEMBL21295477 0.84 EPOR (0.43) FPR2
Hydrochloric Acid SCHEMBL21295474 0.83 EPOR (0.42) FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416280-A1 METHOD FOR PRODUCING 4-BORONO-L-PHENYLALANINE AND INTERMEDIATE THEREOF STELLA PHARMA CORPORATION (JP) 2023-12-28 — — US disclosed
EP-4223762-A1 METHOD FOR PRODUCING 4-BORONO-L-PHENYLALANINE AND INTERMEDIATE THEREOF Stella Pharma Corporation (JP) 2023-08-09 — — 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 (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-20230416280-A1 METHOD FOR PRODUCING 4-BORONO-L-PHENYLALANINE AND INTERMEDIATE THEREOF PAH, BCAT2, BCAT1 FPR2 2193/4885CYP1A2 197/4885PTPN1 2628/4885

“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.

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