SCHEMBL5757569

SCHEMBL5757569

c1csc(COc2nnn[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
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
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MGMT P16455 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ADRA1D P25100 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
PARP1 P09874 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL15326555 0.73 KDM4C (0.41) TSHRSMN1; SMN2CYP1A2L3MBTL1SLC6A2
SCHEMBL5757254 0.72 MGMT (0.39) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL4168658 0.71 TSHR (0.47) HPGDTSHRSMN1; SMN2TAAR1ADRA1D
SCHEMBL3529630 0.70 TAAR1 (0.44) TSHRSMN1; SMN2TAAR1ADRA1DTDP1
SCHEMBL22305088 0.67 F9 (0.49) HPGDHTTSMN1; SMN2TAAR1SLC1A3
SCHEMBL5760121 0.67 HTT (0.44) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL9472736 0.67 CYP2C19 (0.40) TSHRTAAR1ADRA1DSLC1A3SLC1A2
SCHEMBL6616525 0.66 TDP1 (0.51) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL6733610 0.66 TAAR1 (0.50) HPGDHTTTSHRTAAR1SLC1A3
SCHEMBL5757480 0.66 HTT (0.40) HPGDGABRA1GABRG2GABRB3GABRA5

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 10 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-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 HPGD 1407/4885GABRA1 4862/4885GABRG2 4874/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 HPGD 1391/4885GABRA1 4874/4885GABRG2 4876/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 HPGD 928/4885GABRA1 4698/4885GABRG2 4801/4885

“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.