SCHEMBL6913306

SCHEMBL6913306

C=CCOc1ccc(Br)c(CN2CCN(C(=O)OC(C)(C)C)CC2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
KDM1A O60341 1/20 0.36
KRAS P01116 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 1/20 0.35
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
ESR2 Q92731 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
PDE3B Q13370 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
SCHEMBL7167938 0.84 TLR9 (0.39) CA12CA1CA2CA4CA5A
SCHEMBL6451540 0.83 MMP1 (0.39) PIK3CDCA12CA1CA2CA4
SCHEMBL7251570 0.79 KDM1A (0.39) PIK3CDKDM1ACYP3A4DPP4MMP13
SCHEMBL30476366 0.75 P2RX7 (0.46) PIK3CDKDM1AALDH1A1CYP3A4DPP4
SCHEMBL20818471 0.75 P2RX7 (0.46) PIK3CDKDM1AALDH1A1CYP3A4DPP4
SCHEMBL6450280 0.75 P2RX7 (0.38) PIK3CDF13A1TGM2TGM1NR1H2
SCHEMBL16794017 0.74 LMNA (0.40) PIK3CDKRASMMP1MMP9MMP13
SCHEMBL20818026 0.74 P2RX7 (0.45) PIK3CDKDM1AALDH1A1CYP3A4DPP4
SCHEMBL30476449 0.74 P2RX7 (0.45) PIK3CDKDM1AALDH1A1CYP3A4DPP4
SCHEMBL25206368 0.73 USP30 (0.45) KDM1ACYP3A4DPP4ESR2MAOB

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-20040110764-A1 Inhibitors of prenyl-protein transferase STUMP CRAIG A (US) 2004-06-10 US disclosed
WO-2001076693-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-10-18 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-20040110764-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, PTAR1 PIK3CD 999/4885CA12 4054/4885CA1 4019/4885

“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.