SCHEMBL17987690

SCHEMBL17987690

CCCCC(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.51
CTSS P25774 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL21209086 0.90 MEN1 (0.47) CTSKCTSSMEN1GAAKMT2A
SCHEMBL27243556 0.87 TDP1 (0.56) CTSKCTSSMEN1GAAKMT2A
SCHEMBL27243560 0.87 TDP1 (0.56) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1105702 0.84 PCSK9 (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL27685460 0.83 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL26151120 0.83 TDP1 (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL24117848 0.83 TDP1 (0.59) CTSKCTSSMEN1GAAKMT2A
SCHEMBL9220420 0.82 MEN1 (0.46) CTSKCTSSMEN1GAAKMT2A
SCHEMBL17019827 0.82 MEN1 (0.46) CTSKCTSSMEN1GAAKMT2A
SCHEMBL19628801 0.82 MEN1 (0.46) CTSKCTSSMEN1GAAKMT2A

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
CN-104619698-B Pyrrolidin derivatives and the purposes as complement pathway regulator thereof 诺华股份有限公司 2016-08-31 CN disclosed
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-08-04 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-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CTSK 385/4885CTSS 340/4885MEN1 606/4885

“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.