SCHEMBL9750606

SCHEMBL9750606

CCOC(=O)c1sc(NC(C)(C)C)nc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.51
HPGD P15428 5/20 0.50
DHODH Q02127 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TSHR P16473 2/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL7229694 0.85 ALDH1A1 (0.55) P2RY1HPGDDHODHALDH1A1KDM4E
SCHEMBL23742065 0.83 HPGD (0.48) P2RY1HPGDDHODHALDH1A1KDM4E
SCHEMBL9750695 0.83 P2RY1 (0.48) P2RY1HPGDDHODHALDH1A1KDM4E
SCHEMBL12273225 0.82 TSHR (0.49) P2RY1HPGDDHODHALDH1A1KDM4E
SCHEMBL9750613 0.82 RAB9A (0.55) P2RY1HPGDDHODHNPC1MAPT
SCHEMBL28342547 0.82 ALDH1A1 (0.56) P2RY1HPGDDHODHALDH1A1KDM4E
SCHEMBL1539918 0.80 P2RY1 (0.46) P2RY1HPGDDHODHALDH1A1KDM4E
SCHEMBL2145779 0.80 ALDH1A1 (0.54) P2RY1HPGDALDH1A1KDM4ELMNA
SCHEMBL9750642 0.80 MAPT (0.38) P2RY1HPGDDHODHALDH1A1NPC1
SCHEMBL9750672 0.79 ALDH1A1 (0.52) P2RY1HPGDDHODHALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US claimed
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-05-29 US disclosed
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US 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 (1 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-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators AR, CYP17A1, SHBG P2RY1 4268/4885HPGD 131/4885DHODH 1803/4885

“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.