SCHEMBL6981728

SCHEMBL6981728

CC(C)CN(C(N)=S)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.44
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
SMYD3 Q9H7B4 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
DPP4 P27487 1/20 0.30
KCNH2 Q12809 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6978273 0.94 PIK3CD (0.43) PIK3CDCA12CA1CA2CA9
SCHEMBL6981428 0.92 PIK3CD (0.42) PIK3CDCA12CA1CA2CA9
SCHEMBL8189176 0.76
SCHEMBL8300064 0.72 PIK3CD (0.50) PIK3CDDPP4
SCHEMBL25097342 0.71 PIK3CD (0.53) PIK3CDSLC6A2SLC6A4SLC6A3DPP4
SCHEMBL6987769 0.70 ALOX5 (0.40)
SCHEMBL8935574 0.69 PHGDH (0.52) PIK3CDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8044010 0.69 L3MBTL1 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL6285268 0.67 CA12 (0.56) CA12CA1CA2CA9
SCHEMBL7164608 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP claimed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO claimed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
US-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily THOMPSON SCOTT KEVIN (US) 2002-10-24 US disclosed
CN-1304447-A Treatment of parasitic diseases by inhibition of cysteine proteases of papain superfamily SMITHKLINE BEECHAM CORP (US) 2001-07-18 CN disclosed
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 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 (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-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily PEPD, PREP, CPN1 PIK3CD 3828/4885CA12 431/4885CA1 363/4885

“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.