SCHEMBL4863724

SCHEMBL4863724

CCC(=Cc1ccc(-c2nc(NC(C)=O)sc2-c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.56
PIK3CA P42336 3/20 0.56
PIK3CB P42338 3/20 0.56
PIK3CG P48736 3/20 0.56
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RORC P51449 3/20 0.48
AOC3 Q16853 2/20 0.46
PTGS2 P35354 7/20 0.43
PTGS1 P23219 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL4863720 1.00 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4874768 0.84 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4990287 0.82 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4990301 0.82 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4874805 0.79 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4863712 0.79 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL27654534 0.77 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL5547039 0.76 RORC (0.52) PIK3CDPIK3CAPIK3CBPIK3CGRORC
SCHEMBL5547036 0.76 RORC (0.52) PIK3CDPIK3CAPIK3CBPIK3CGRORC
SCHEMBL4871983 0.76 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 PIK3CD 4519/4885PIK3CA 4514/4885PIK3CB 4739/4885

“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.