SCHEMBL5756337

SCHEMBL5756337

O=C(COc1nccs1)n1cccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 8/20 0.35
RAB9A P51151 8/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
TP53 P04637 3/20 0.35
HPGD P15428 3/20 0.35
THRB P10828 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 5/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 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
SCHEMBL7686448 0.74 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5759533 0.72 L3MBTL1 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11624815 0.69 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5757364 0.68 KDM4E (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5760112 0.68 KDM4E (0.32) KDM4E
SCHEMBL12234502 0.66 KMT2A (0.60) MEN1KMT2ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27478065 0.65 ALDH1A1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL27852103 0.65 ALDH1A1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2658806 0.65 L3MBTL1 (0.55) ALDH1A1PKML3MBTL1
SCHEMBL27521615 0.65 ALDH1A1 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 12 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-6608104-B2 Antiarthritic agents; anticancer agents PFIZER INC 2003-08-19 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-1138680-A1 Gem substituted sulfonyl hydroxamic acids as MMP inhibitors Pfizer Products Inc. (US) 2001-10-04 EP 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 MEN1 2200/4885KMT2A 2819/4885NPC1 1072/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 MEN1 1815/4885KMT2A 2682/4885NPC1 1698/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 MEN1 2994/4885KMT2A 2354/4885NPC1 3537/4885

“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.