SCHEMBL18506902

SCHEMBL18506902

CC(C)C(=O)NC(C)(C)I

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
PIK3CD O00329 1/20 0.31
GAA P10253 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
SCHEMBL154812 0.78 POLB (0.46) POLBPIK3CDGAA
SCHEMBL22304297 0.76 PIK3CD (0.37) POLBPIK3CDGAA
SCHEMBL25443684 0.74 PIK3CD (0.50) POLBPIK3CDGAA
SCHEMBL21789474 0.74 POLB (0.33) POLBPIK3CDGAA
SCHEMBL1233264 0.74 POLB (0.33) POLBPIK3CDGAA
SCHEMBL9911469 0.72 KDM4C (0.42) POLBPIK3CDGAA
SCHEMBL11764211 0.72 POLB (0.41) POLBPIK3CD
SCHEMBL10175141 0.70 MLYCD (0.38) POLBGAA
SCHEMBL22305813 0.70 PIK3CD (0.33) POLBPIK3CD
SCHEMBL3216320 0.70 KMT2A (0.35) POLBPIK3CD

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-10017477-B2 Janus kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-10 US disclosed
US-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-16 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 (2 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-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF JAK3, JAK1, JAK2 POLB 1540/4885PIK3CD 472/4885GAA 1769/4885
US-10017477-B2 Janus kinase inhibitors and uses thereof JAK3, JAK1, JAK2 POLB 1540/4885PIK3CD 472/4885GAA 1769/4885

“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.