SCHEMBL5757783

SCHEMBL5757783

[c]1nc2c(OCc3cccs3)cccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 2/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.34
MTOR P42345 1/20 0.34
HTR6 P50406 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL5759007 0.80 CHRM2 (0.36) SMN1; SMN2KMT2ATP53MAPK1MEN1
SCHEMBL5758595 0.77 NPC1 (0.43) SMN1; SMN2GAAKMT2ATP53MAPK1
SCHEMBL5761998 0.76 GAA (0.39) HTTTSHRSMN1; SMN2GAAPOLB
SCHEMBL5757135 0.76 MAPT (0.34) SMN1; SMN2POLBKMT2ATP53MAPK1
SCHEMBL10832867 0.75 CBFB (0.46) L3MBTL1SMN1; SMN2KMT2AMAPK1MEN1
SCHEMBL6242231 0.74 HTT (0.41) HTTL3MBTL1TSHRSMN1; SMN2GAA
SCHEMBL5758606 0.74 HTT (0.41) HTTL3MBTL1TSHRSMN1; SMN2GAA
SCHEMBL5759424 0.74 SYK (0.46) SMN1; SMN2TP53MAPK1SLC6A4KDM4E
SCHEMBL6223828 0.71 KDM4E (0.62) L3MBTL1SMN1; SMN2GAAPOLBKMT2A
SCHEMBL9167531 0.71 MCHR1 (0.48) HTTL3MBTL1TSHRSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104403-B1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PROD INC (US) 2006-05-10 EP disclosed
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US disclosed
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
US-6329397-B1 TREATMENT OF A CONDITION SELECTED FROM THE GROUP CONSISTING OF ARTHRITIS, CANCER, AND OTHER DISEASES CHARACTERIZED BY MATRIX METALLOPROTEINASE OR MAMMALIAN REPROLYSIN ACTIVITY. PFIZER 2001-12-11 US disclosed
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
EP-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO 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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 HTT 1917/4885L3MBTL1 3870/4885TSHR 3758/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 HTT 1371/4885L3MBTL1 3127/4885TSHR 2418/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 HTT 102/4885L3MBTL1 3083/4885TSHR 4266/4885

“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.