SCHEMBL5761998

SCHEMBL5761998

[c]1nc2c(OCc3ccco3)cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 3/20 0.33
SGMS2 Q8NHU3 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.32
MGMT P16455 1/20 0.32
MAPK1 P28482 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL5757135 0.81 MAPT (0.34) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL5758595 0.77 NPC1 (0.43) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL5757783 0.76 HTT (0.40) GAAKDM4EHPGDMEN1KMT2A
SCHEMBL9167531 0.74 MCHR1 (0.48) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL5762107 0.74 GAA (0.40) GAAALDH1A1KDM4ENPSR1HPGD
SCHEMBL5759424 0.74 SYK (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL5760823 0.73 GAA (0.39) GAAALDH1A1KDM4ENPSR1HPGD
SCHEMBL5759990 0.72 GAA (0.38) GAAALDH1A1KDM4ENPSR1HPGD
SCHEMBL6027596 0.71 RAB9A (0.56) GAAKDM4EMEN1KMT2APOLB
SCHEMBL557929 0.70 KEAP1 (0.44) ALDH1A1HPGDMEN1KMT2APOLB

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
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-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 (2 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 GAA 172/4885ALDH1A1 2961/4885KDM4E 3142/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 GAA 279/4885ALDH1A1 2994/4885KDM4E 3458/4885

“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.