SCHEMBL5757250

SCHEMBL5757250

[c]1nc(OCc2cccs2)c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
MTOR P42345 1/20 0.35
HTR6 P50406 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
MAPK14 Q16539 1/20 0.35
MGMT P16455 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
SCHEMBL5757477 0.73 HTT (0.37) HPGDHTTSMN1; SMN2MAPK14MGMT
SCHEMBL5759820 0.73 HTT (0.37) HPGDHTTSMN1; SMN2MAPK14MGMT
SCHEMBL5759997 0.72 HTT (0.39) HPGDHTTCYP1A2CYP2D6KMT2A
SCHEMBL7530934 0.70 CYP2D6 (0.45) HPGDHTTCYP1A2CYP2D6KMT2A
SCHEMBL5759659 0.70 CYP1A2 (0.38) HPGDHTTCYP1A2CYP2D6KMT2A
SCHEMBL5757688 0.70 PARP10 (0.43) HPGDCYP1A2CYP2D6HTR2CSMN1; SMN2
SCHEMBL5758319 0.68 HTT (0.36) HPGDHTTCYP1A2CYP2D6SMN1; SMN2
SCHEMBL5757783 0.67 HTT (0.40) HPGDHTTCYP1A2CYP2D6KMT2A
SCHEMBL3110288 0.67 HTR7 (0.46) HPGDHTTKMT2ASMN1; SMN2MAPK14
SCHEMBL8966043 0.67 BCAT2 (0.41) HPGDHTTSMN1; SMN2MGMTGABRA1

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 7 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-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

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 HPGD 1407/4885HTT 1917/4885CYP1A2 1273/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 HPGD 1391/4885HTT 1371/4885CYP1A2 916/4885

“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.