Sugi Predict

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SCHEMBL205117

SCHEMBL205117

CC(C)(C)OC(=O)N1CCOCC1C(=O)NCC(=O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MPI P34949 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ FPR3 P25089 2/20 0.38
▸ FPR2 P25090 2/20 0.38
▸ F2 P00734 2/20 0.38
▸ F9 P00740 2/20 0.38
▸ F10 P00742 2/20 0.38
▸ F12 P00748 2/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ F7 P08709 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MALT1 Q9UDY8 1/20 0.37
▸ UCHL1 P09936 1/20 0.37

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
SCHEMBL2709738 1.00 NPC1 (0.41) NPC1ALDH1A1KMT2AMAPTLMNA
SCHEMBL12547915 0.85 NPC1 (0.58) NPC1ALDH1A1KMT2ALMNAUSP30
SCHEMBL571211 0.85 NPC1 (0.58) NPC1ALDH1A1KMT2ALMNAUSP30
SCHEMBL204402 0.85 NPC1 (0.58) NPC1ALDH1A1KMT2ALMNAUSP30
SCHEMBL17644213 0.84 MAPT (0.43) NPC1ALDH1A1KMT2AMAPTLMNA
SCHEMBL3448500 0.84 NPC1 (0.54) NPC1ALDH1A1KMT2ALMNAUSP30
SCHEMBL3448502 0.84 NPC1 (0.54) NPC1ALDH1A1KMT2ALMNAUSP30
SCHEMBL12158421 0.80 POLB (0.52) NPC1ALDH1A1KMT2AFPR3FPR2
SCHEMBL12158416 0.80 POLB (0.52) NPC1ALDH1A1KMT2AFPR3FPR2
SCHEMBL14845543 0.79 CYP1A2 (0.40) NPC1ALDH1A1USP30FPR3FPR2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 — — EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 — — US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 — — EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 — — US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 — — US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 — — EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 — — US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 — — US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 — — US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 — — US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 — — US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 — — US 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-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 — — US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
US-20100215618-A1 NOVEL COMPOUNDS - 644 ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 — — US disclosed
WO-2010094977-A1 NOVEL BIPHENYL COMPOUNDS USEFUL FOR THE TREATMENT OF HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 — — WO 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 (8 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-20100215618-A1 NOVEL COMPOUNDS - 644 NR1H4, HAVCR2, CYP3A4 NPC1 764/4885ALDH1A1 1071/4885KMT2A 4641/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885ALDH1A1 3957/4885KMT2A 3803/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885ALDH1A1 3957/4885KMT2A 3803/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885ALDH1A1 3957/4885KMT2A 3803/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885ALDH1A1 3957/4885KMT2A 3803/4885
US-20120230951-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS NPC1 76/4885ALDH1A1 1653/4885KMT2A 4398/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885ALDH1A1 3957/4885KMT2A 3803/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885ALDH1A1 3957/4885KMT2A 3803/4885

“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.