SCHEMBL5757480

SCHEMBL5757480

c1csc(COc2nccs2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
TAAR1 Q96RJ0 1/20 0.38
HPGD P15428 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
GAA P10253 2/20 0.36
ADAM17 P78536 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5615358 0.76 PDPK1 (0.47) GAAL3MBTL1SMN1; SMN2TSHRALDH1A1
SCHEMBL16884267 0.74 ADRA2A (0.48) POLB
SCHEMBL7530934 0.73 CYP2D6 (0.45) HTTHPGDGABRA1GABRG2GABRB3
SCHEMBL14262248 0.73 HTT (0.35) HTTTAAR1HPGDGABRA1GABRG2
SCHEMBL5762233 0.72 CHRM2 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22305088 0.72 F9 (0.49) HTTTAAR1HPGDSLC1A3SLC1A2
SCHEMBL5760121 0.72 HTT (0.44) HTTTAAR1HPGDGABRA1GABRG2
SCHEMBL6648693 0.72 CHRM2 (0.34) TSHRALDH1A1
SCHEMBL5759825 0.71 TRPM8 (0.39) HTTTAAR1HPGDGABRA1GABRG2
SCHEMBL14262167 0.71 HTT (0.39) HTTTAAR1HPGDGABRA1GABRG2

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 13 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-20020019534-A1 Gem substituted hydroxamic acids PFIZER INC. 2002-02-14 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 (4 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 1917/4885TAAR1 2173/4885HPGD 1407/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 HTT 1371/4885TAAR1 1481/4885HPGD 1391/4885
US-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 HTT 462/4885TAAR1 4501/4885HPGD 813/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 HTT 102/4885TAAR1 3094/4885HPGD 928/4885

“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.