SCHEMBL10778604

SCHEMBL10778604

N[C@@](CO)(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
ESR1 P03372 4/20 0.44
CA2 P00918 3/20 0.44
CAMK2A Q9UQM7 1/20 0.44
ARG1 P05089 1/20 0.43
ARG2 P78540 1/20 0.43
SLC7A5 Q01650 1/20 0.42
ESR2 Q92731 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.40
CYP1A2 P05177 1/20 0.40
FYN P06241 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
SCHEMBL3117431 1.00 BLM (0.61) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL3117439 1.00 BLM (0.61) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL7924236 0.85 SMN1; SMN2 (0.62) BLMSMN1; SMN2HIF1AARG1ARG2
SCHEMBL366771 0.85 SMN1; SMN2 (0.62) BLMSMN1; SMN2HIF1AARG1ARG2
SCHEMBL366770 0.85 SMN1; SMN2 (0.62) BLMSMN1; SMN2HIF1AARG1ARG2
SCHEMBL10935109 0.84 BLM (0.64) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL22074782 0.84 BLM (0.59) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL22033172 0.84 BLM (0.59) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL5329866 0.84 BLM (0.64) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL5565849 0.84 BLM (0.59) BLMSMN1; SMN2HIF1AESR1CA2

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-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-08 US disclosed
WO-2021216781-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-10-28 WO disclosed
US-4695588-A DECARBOXYLASE INHIBITORS MERCK & CO., INC. (US) 1987-09-22 US disclosed
US-4325961-A FLUOROMETHYLHISTIDINE, ESTERS, AND SALTS MERCK & CO., INC. (US) 1982-04-20 US disclosed
US-4288601-A A-FLUOROMETHYL AMINO ACIDS FROM THE A-HYDROXYMETHYL COMPOUND USING SULFUR TETRAFLUORIDE AND BORON TRIFLUORIDE IN HYDROFLUORIC ACID MERCK & CO., INC. (US) 1981-09-08 US disclosed
US-4215221-A A-FLUOROMETHYL AMINO ACIDS FROM THE A-HYDROXYMETHYL COMPOUNDS USING SULFUR TETRAFLUORIDE IN HYDROFLUORIC ACID AND ALUMINUM CHLORIDE MERCK & CO., INC. (US) 1980-07-29 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-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PARK7, SNCA, RHOT2 BLM 1837/4885SMN1; SMN2 24/4885HIF1A 4527/4885

“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.