SCHEMBL2681202

SCHEMBL2681202

CCC(=O)N(Cc1cccc(-c2sc(C)nc2C)c1)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.46
PDK1 Q15118 1/20 0.40
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
STAT3 P40763 1/20 0.36
PTPRS Q13332 1/20 0.36

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
SCHEMBL934534 0.82 PTGDR2 (0.52) PTGDR2PDK1ALDH1A1PTPN2PTPN1
SCHEMBL2680862 0.81 PTGDR2 (0.51) PTGDR2PDK1CYP2C8CYP2C9CYP2C19
SCHEMBL934124 0.80 PTGDR2 (0.46) PTGDR2PDK1PTPN2PTPN1STAT3
SCHEMBL934199 0.79 PTGDR2 (0.56) PTGDR2PDK1USP2ALDH1A1HPGD
SCHEMBL933571 0.79 PTGDR2 (0.46) PTGDR2HDAC1HDAC8HDAC6
SCHEMBL2680763 0.79 PTGDR2 (0.45) PTGDR2PDK1HDAC1HDAC8HDAC6
SCHEMBL934520 0.79 PDK1 (0.51) PTGDR2PDK1
SCHEMBL934148 0.78 PTGDR2 (0.54) PTGDR2USP2ALDH1A1HPGDALOX15
SCHEMBL934130 0.77 PTGDR2 (0.43) PTGDR2PDK1HDAC1HDAC8HDAC6
SCHEMBL935192 0.76 PTGDR2 (0.57) PTGDR2CYP2C8CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 PTGDR2 548/4885PDK1 1795/4885CDK4 3567/4885

“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.