SCHEMBL5758902

SCHEMBL5758902

[c]1nccnc1OCc1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR2 Q92731 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CYP2D6 P10635 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 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
SCHEMBL5757672 0.77 HTT (0.37) HTTPOLBHPGDGABRA1GABRG2
SCHEMBL5758277 0.73 CHRM2 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5759676 0.72
SCHEMBL5757975 0.71 GAA (0.45) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL5759110 0.70 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2D6CYP1A2
SCHEMBL5759997 0.70 HTT (0.39) HTTESR1POLBSTAT3SMN1; SMN2
SCHEMBL5757480 0.69 HTT (0.40) HTTESR1POLBSTAT3SMN1; SMN2
SCHEMBL5757254 0.69 MGMT (0.39) HTTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5760411 0.69 HTT (0.38) HTTNPC1RAB9AHPGDGABRA1
SCHEMBL7530934 0.68 CYP2D6 (0.45) HTTESR1POLBSTAT3SMN1; 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 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 1917/4885ESR1 2235/4885POLB 710/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 HTT 1371/4885ESR1 1145/4885POLB 769/4885
US-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 HTT 462/4885ESR1 2696/4885POLB 578/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 HTT 102/4885ESR1 3026/4885POLB 653/4885

“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.