SCHEMBL3817028

SCHEMBL3817028

COc1ccc(C(N)C(=O)O)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
ACHE P22303 1/20 0.51
HSD17B10 Q99714 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
MEN1 O00255 3/20 0.47
CYP2C9 P11712 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 1/20 0.47
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
DRD3 P35462 1/20 0.47
GRM4 Q14833 1/20 0.47
FFAR1 O14842 1/20 0.46
KDM4E B2RXH2 4/20 0.45

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
SCHEMBL8354271 0.85 ACHE (0.69) ACHEHSD17B10TDP1MEN1CYP2C9
SCHEMBL3667658 0.82 PTGS2 (0.61) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL3621168 0.82 LMNA (0.56) LMNAMAPK1HTTRAB9AACHE
SCHEMBL30536168 0.82 BLM (0.64) LMNAMAPK1HTTRAB9AACHE
SCHEMBL3614303 0.82 ACHE (0.53) LMNAHTTACHEHSD17B10TDP1
SCHEMBL16563578 0.81 PDE2A (0.61) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL3625215 0.81 ACHE (0.51) LMNAHTTACHEHSD17B10TDP1
SCHEMBL21271500 0.80 FFAR1 (0.55) LMNAMAPK1HTTRAB9AACHE
SCHEMBL20139069 0.80 FFAR1 (0.55) LMNAMAPK1HTTRAB9AACHE
SCHEMBL2862033 0.80 FFAR1 (0.55) LMNAMAPK1HTTRAB9AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173018-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2024-12-24 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
CN-112469725-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2021-03-09 CN disclosed
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 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 (3 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-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL LMNA 3468/4885MAPK1 4129/4885HTT 4326/4885
US-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL LMNA 3468/4885MAPK1 4129/4885HTT 4326/4885
US-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU LMNA 4792/4885MAPK1 9/4885HTT 207/4885

“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.