SCHEMBL14827615

SCHEMBL14827615

COC(=O)NC(C(=O)O)C1(C)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
MME P08473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C19 P33261 2/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL10210064 0.84 ALDH1A1 (0.37) TSHRMAPTCYP2C9CYP3A4CYP2C19
SCHEMBL583877 0.83 CTSK (0.39) MEN1KMT2A
SCHEMBL1492103 0.83 CTSK (0.39) MEN1KMT2A
SCHEMBL583878 0.83 CTSK (0.39) MEN1KMT2A
SCHEMBL1480407 0.81 CA1 (0.39) MEN1KMT2A
SCHEMBL31374987 0.81 CA1 (0.39) MEN1KMT2A
SCHEMBL8280439 0.79 TSHR (0.33) TSHRCYP2C9MMECYP3A4MEN1
SCHEMBL15105800 0.77 CA1 (0.39) MEN1KMT2A
SCHEMBL28269476 0.77 CA1 (0.39) MEN1KMT2A
Hydrochloric Acid SCHEMBL5415303 0.77 TSHR (0.32) TSHRCYP2C9MMEMEN1KMT2A

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-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 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-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 TSHR 4457/4885MAPT 2725/4885CYP2C9 2875/4885

“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.