SCHEMBL1012011

SCHEMBL1012011

CCOC(=O)c1cnc(NC2C3CN(C(=O)O)CC32)nc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 15/20 0.42
ACACB O00763 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL12723444 0.88 ACACB (0.40) P2RY12ACACBCYP2C9CYP2C19MEN1
SCHEMBL1012529 0.85 ATM (0.44) P2RY12MEN1ALDH1A1GAAKMT2A
SCHEMBL1010754 0.81 PCSK9 (0.38) P2RY12ACACBCYP2C9CYP2C19MEN1
Trifluoroacetic Acid SCHEMBL1010045 0.77 S1PR1 (0.36) P2RY12CYP2C9CYP2C19ALDH1A1HRH3
SCHEMBL16048538 0.76 HDAC3 (0.49) CYP2C9CYP2C19RAB9A
SCHEMBL28456949 0.74 P2RY12 (0.40) P2RY12
SCHEMBL1011264 0.74 NR1D1 (0.46) P2RY12ALDH1A1GAA
SCHEMBL8250705 0.74 HDAC3 (0.50) P2RY12CYP2C19ALDH1A1GAAKMT2A
SCHEMBL8251602 0.73 P2RY12 (0.42) P2RY12ACACBCYP2C19MEN1ALDH1A1
SCHEMBL17832703 0.72 NOS2 (0.47)

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-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 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-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 P2RY12 4870/4885ACACB 1153/4885CYP2C9 2028/4885

“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.