SCHEMBL16409147

SCHEMBL16409147

CC(=O)C(=O)N1C(C)(C)CCCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL28088669 0.82 TSHR (0.45) TSHRNFKB1CYP2C19
SCHEMBL16369930 0.81 TSHR (0.45) TSHRNFKB1CYP2C19
SCHEMBL10574423 0.80 TSHR (0.43) TSHRNFKB1CYP2C19
SCHEMBL8613670 0.80 TSHR (0.43) TSHRNFKB1CYP2C19
SCHEMBL16391215 0.76 TSHR (0.41) TSHRNFKB1CYP2C19
SCHEMBL16391217 0.76 TSHR (0.37) TSHRNFKB1CYP2C19
SCHEMBL28448964 0.75 TSHR (0.43) TSHRNFKB1CYP2C19
SCHEMBL9067554 0.75 TSHR (0.48) TSHRNFKB1CYP2C19
SCHEMBL8527302 0.73 TSHR (0.42) TSHRNFKB1CYP2C19
SCHEMBL2278363 0.73 TSHR (0.42) TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 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 (3 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 TSHR 4427/4885NFKB1 2449/4885CYP2C19 4064/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 TSHR 4427/4885NFKB1 2449/4885CYP2C19 4064/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TSHR 4357/4885NFKB1 2206/4885CYP2C19 4541/4885

“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.