Sugi Predict

Sugi Predict / Compounds / SCHEMBL6120151

SCHEMBL6120151

SCHEMBL6120151

O=C(O)[C@@H]1CC2(CC2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADAM10 O14672 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PSEN1 P49768 1/20 0.45
▸ PSEN2 P49810 1/20 0.45
▸ APH1B Q8WW43 1/20 0.45
▸ NCSTN Q92542 1/20 0.45
▸ APH1A Q96BI3 1/20 0.45
▸ PSENEN Q9NZ42 1/20 0.45
▸ HTR2C P28335 1/20 0.44
▸ PREP P48147 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL203727 1.00 ADAM10 (0.48) ADAM10MMP2MMP3MMP9SMN1; SMN2
SCHEMBL1440900 0.92 MEN1 (0.50) ADAM10MMP2MMP3MMP9SMN1; SMN2
SCHEMBL28885286 0.92 HTR2C (0.45) ADAM10MMP2MMP3MMP9SMN1; SMN2
SCHEMBL204603 0.88 MITF (0.48) ADAM10MMP2MMP3MMP9SMN1; SMN2
SCHEMBL2707991 0.88 MITF (0.48) ADAM10MMP2MMP3MMP9SMN1; SMN2
SCHEMBL17377956 0.85 NPC1 (0.49) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL12559646 0.85 NPC1 (0.49) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL28885244 0.85 NPC1 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9977402 0.84 HTR2C (0.53) ADAM10MMP2MMP3MMP9SMN1; SMN2
SCHEMBL5765399 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9APSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440507-B Compound as apoptosis protein inhibitor and application thereof 南京圣和药物研发有限公司 2022-10-18 — — CN disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 — — US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 — — US disclosed
US-20180079744-A1 METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR SHANGHAI FOREFRONT PHARMACEUTICAL CO LTD (CN) 2018-03-22 — — US disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 — — EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 — — EP disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 — — US disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 — — US disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 — — EP 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-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 — — US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 — — US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 — — US disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 — — WO disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-20110306541-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2011-12-15 — — US disclosed
US-20110306541-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2011-12-15 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — 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 (9 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-20110306541-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ADAM10 3498/4885MMP2 1083/4885MMP3 916/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ADAM10 2174/4885MMP2 3149/4885MMP3 2846/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ADAM10 2174/4885MMP2 3149/4885MMP3 2846/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ADAM10 2174/4885MMP2 3149/4885MMP3 2846/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ADAM10 2174/4885MMP2 3149/4885MMP3 2846/4885
US-20180079744-A1 METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR POLI, SAMHD1, TYMP ADAM10 2535/4885MMP2 2195/4885MMP3 2708/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ADAM10 3498/4885MMP2 1083/4885MMP3 916/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ADAM10 2174/4885MMP2 3149/4885MMP3 2846/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ADAM10 2174/4885MMP2 3149/4885MMP3 2846/4885

“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.