Sugi Predict

Sugi Predict / Compounds / SCHEMBL704912

SCHEMBL704912

SCHEMBL704912

CC(C)(C)[Si](C)(C)Oc1ccc2cc(Br)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.58
▸ CA1 P00915 4/20 0.58
▸ CA9 Q16790 4/20 0.58
▸ NCEH1 Q6PIU2 1/20 0.44
▸ CYP2A6 P11509 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PREP P48147 2/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL30186537 1.00 CA12 (0.58) CA12CA1CA9NCEH1CYP2A6
SCHEMBL2221888 0.96 CA12 (0.55) CA12CA1CA9NCEH1CYP2A6
SCHEMBL12017833 0.83 CA1 (0.59) CA12CA1CA9CYP2A6MAPT
SCHEMBL8171076 0.82 NCEH1 (0.47) CA12CA1CA9NCEH1CYP2A6
SCHEMBL614621 0.82 PREP (0.47) CA12CA1CA9CYP2A6LMNA
SCHEMBL7127684 0.81 CA12 (0.57) CA12CA1CA9NCEH1PREP
SCHEMBL13196947 0.80 KDM4E (0.42) CA12CA1CA9NCEH1THRB
SCHEMBL6770995 0.80 PREP (0.46) CA12CA1CA9CYP2A6LMNA
SCHEMBL6063289 0.80 CA12 (0.56) CA12CA1CA9CYP2A6PREP
SCHEMBL6811874 0.80 CA12 (0.56) CA12CA1CA9CYP2A6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 — — US disclosed
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 — — US disclosed
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2019-01-01 — — US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 — — US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 — — US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 — — US disclosed
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2017-08-24 — — US disclosed
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2017-08-24 — — US disclosed
US-9572824-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-02-21 — — US disclosed
US-9572824-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-02-21 — — US disclosed
US-6218558-B1 BRIDGED OXYGEN-, NITROGEN- OR SULFUR-CONTAINING METALLOCENE CATALYST CONTAINING AT LEAST CYCLOPENTADIENE RING FUSED TO A C7-10 RING JAPAN POLYCHEM CORPORATION (JP) 2001-04-17 — — US disclosed
EP-0963996-A2 Novel transition metal compound, catalyst component for olefin polymerization and process for the preparation of alpha-olefin polymer Japan Polychem Corporation (JP) 1999-12-15 — — EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 — — US disclosed
US-5739163-A ANTICOAGULANTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-14 — — US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 — — EP disclosed
US-5523302-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-04 — — US disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 — — WO disclosed
US-5132422-A 2-naphthyl-carbapenem intermediates MERCK & CO., INC. (US) 1992-07-21 — — US disclosed
EP-0466253-A1 2-naphthyl-carbapenems MERCK & CO. INC. (US) 1992-01-15 — — EP disclosed
US-5006519-A 2-naphthyl-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-04-09 — — 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 (5 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-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates M6PR, ASGR1, IGF2R CA12 1621/4885CA1 3431/4885CA9 2266/4885
US-20170239280-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 CA12 4883/4885CA1 4849/4885CA9 4884/4885
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 CA12 4877/4885CA1 4823/4885CA9 4883/4885
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 CA12 4877/4885CA1 4823/4885CA9 4883/4885
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 CA12 4883/4885CA1 4849/4885CA9 4884/4885

“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.