SCHEMBL4609155

SCHEMBL4609155

COC(=O)[C@@H](CC(=O)O)Cc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
FOLH1 Q04609 2/20 0.41
KMT2A Q03164 1/20 0.39
CPA1 P15085 2/20 0.38
CPB1 P15086 1/20 0.38
CPA3 P15088 1/20 0.38
CPB2 Q96IY4 1/20 0.38
PTPN1 P18031 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LTA4H P09960 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL3960108 1.00 POLB (0.41) POLBFOLH1KMT2ACPA1CPB1
SCHEMBL4607364 0.84 KMT2A (0.40) POLBFOLH1KMT2ACPA1CPB1
SCHEMBL3960051 0.83 CPA1 (0.56) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL3960054 0.83 CPA1 (0.56) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL3960052 0.83 CPA1 (0.56) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL4510891 0.81 POLB (0.37) POLBFOLH1KMT2ACPA1CPB1
SCHEMBL4510897 0.81 POLB (0.37) POLBFOLH1KMT2ACPA1CPB1
SCHEMBL3308134 0.79 ADRB2 (0.42) POLBFOLH1PPARG
SCHEMBL3308130 0.79 ADRB2 (0.42) POLBFOLH1PPARG
SCHEMBL3137725 0.78 FOLH1 (0.41) POLBFOLH1KMT2APTPN1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 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-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS POLB 2731/4885FOLH1 1049/4885KMT2A 2610/4885

“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.