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SCHEMBL2450772

SCHEMBL2450772

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(I)n1COCC[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ TSHR P16473 7/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 6/20 0.39
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ HRH2 P25021 1/20 0.35
▸ HRH1 P35367 1/20 0.35

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
SCHEMBL2450771 1.00 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL831054 0.89 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL10117561 0.89 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL205382 0.89 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL934406 0.88 DGAT1 (0.32) MAPTTP53
SCHEMBL934404 0.88 DGAT1 (0.32) MAPTTP53
SCHEMBL9281762 0.88 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL932279 0.88 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL10117352 0.88 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL205757 0.87 ALDH1A1 (0.40) ALDH1A1TSHRKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 — — US disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 — — US disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 — — US disclosed
EP-2774927-A1 Inhibitors of HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2014-09-10 — — EP disclosed
WO-2012123298-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
US-20120230951-A1 ANTIVIRAL COMPOUNDS ALAM MUZAFFAR (US) 2012-09-13 — — US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 — — US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 — — US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 — — US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 — — 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS ALDH1A1 557/4885TSHR 4599/4885KMT2A 4475/4885
US-20120230951-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 1653/4885TSHR 4757/4885KMT2A 4398/4885
US-20110237579-A1 INHIBITORS OF HCV NS5A MAVS, HAVCR2, EIF2AK2 ALDH1A1 4169/4885TSHR 3342/4885KMT2A 3623/4885

“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.