SCHEMBL31369706

SCHEMBL31369706

N[C@@H](Cc1ccc(-c2ccccc2Cl)nc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SLC7A5 Q01650 4/20 0.50
▸ PTGS1 P23219 2/20 0.50
▸ ALPI P09923 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ XIAP P98170 1/20 0.50
▸ TPH1 P17752 5/20 0.46
▸ DHODH Q02127 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ HTR2A P28223 1/20 0.41

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
SCHEMBL14403597 0.84 TPH1 (0.57) HSD17B10ALOX15TDP1SLC7A5PTGS1
SCHEMBL25356472 0.82 TPH1 (0.60) HSD17B10SLC7A5PTGS1ALPIPKM
SCHEMBL30722995 0.82 TPH1 (0.60) HSD17B10SLC7A5PTGS1ALPIPKM
SCHEMBL25357127 0.82 TPH1 (0.60) HSD17B10SLC7A5PTGS1ALPIPKM
SCHEMBL31303988 0.82 TPH1 (0.60) HSD17B10SLC7A5PTGS1ALPIPKM
SCHEMBL25356476 0.82 TPH1 (0.60) HSD17B10SLC7A5PTGS1ALPIPKM
SCHEMBL12273163 0.80 SLC7A5 (0.54) HSD17B10ALOX15TDP1SLC7A5PTGS1
SCHEMBL30673627 0.80 SLC7A5 (0.54) HSD17B10ALOX15TDP1SLC7A5PTGS1
SCHEMBL31295364 0.80 SLC7A5 (0.54) HSD17B10ALOX15TDP1SLC7A5PTGS1
SCHEMBL29462215 0.80 SLC7A5 (0.54) HSD17B10ALOX15TDP1SLC7A5PTGS1

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 HSD17B10 3828/4885ALOX15 4849/4885TDP1 4286/4885

“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