SCHEMBL5760924

SCHEMBL5760924

[c]1[nH]c2ccccc2c1OCc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
TSHR P16473 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
STAT3 P40763 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5761640 0.78 TUBB4A (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10626970 0.76 GABRP (0.47) GAATSHRGABRA1GABRG2GABRB3
SCHEMBL5757538 0.74 GABRP (0.33) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL5758718 0.73 GAA (0.42) GAATSHRGABRA1GABRG2GABRB3
SCHEMBL5760229 0.73 GABRA1 (0.38) GAATSHRGABRA1GABRG2GABRB3
SCHEMBL4924573 0.73 GABRP (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5757416 0.72 HTR2C (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5761698 0.72 GAA (0.43) GAATSHRGABRA1GABRG2GABRB3
SCHEMBL5761594 0.71 GAA (0.42) GAATSHRGABRA1GABRG2GABRB3
SCHEMBL4921051 0.70 GABRP (0.47) TSHRGABRA1GABRG2GABRB3GABRA5

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 8 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-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

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 GAA 172/4885TSHR 3758/4885GABRA1 4862/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 GAA 279/4885TSHR 2418/4885GABRA1 4874/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 GAA 1320/4885TSHR 4266/4885GABRA1 4698/4885

“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.