SCHEMBL10182415

SCHEMBL10182415

CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)OC(CC(F)(F)F)C(=O)c1ccc(Br)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 2/20 0.31
▸ FPR2 P25090 2/20 0.31
▸ ESRRB O95718 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESRRA P11474 1/20 0.31
▸ ESRRG P62508 1/20 0.31
▸ RORC P51449 2/20 0.31
▸ KCNK3 O14649 1/20 0.30
▸ KCNK9 Q9NPC2 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
SCHEMBL13746501 1.00 FPR3 (0.31) FPR3FPR2ESRRBESR1ESRRA
SCHEMBL10182263 0.80 NPC1 (0.46) FPR3FPR2
SCHEMBL19488759 0.79 NPC1 (0.43) FPR3FPR2
SCHEMBL10182417 0.78 KMT2A (0.41) —
SCHEMBL12752017 0.78 KMT2A (0.41) —
SCHEMBL15586735 0.78 KMT2A (0.41) —
SCHEMBL15773712 0.78 KMT2A (0.41) —
SCHEMBL19488754 0.73 FPR2 (0.38) FPR3FPR2
SCHEMBL10202447 0.73 FPR2 (0.38) FPR3FPR2
SCHEMBL1294187 0.72 ALDH1A1 (0.34) —

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-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 — — US disclosed
US-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 — — US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 — — US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 — — 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-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FPR3 2547/4885FPR2 3812/4885ESRRB 2058/4885

“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.

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