Sugi Predict

Sugi Predict / Compounds / SCHEMBL1687973

SCHEMBL1687973

SCHEMBL1687973

CCC1C[C@]1(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LPAR1 Q92633 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ CTSK P43235 3/20 0.33
▸ CTSS P25774 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ APLNR P35414 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32

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
SCHEMBL1636182 1.00 KMT2A (0.39) KMT2AMEN1MAPK1LPAR1BTK
SCHEMBL2511482 1.00 KMT2A (0.39) KMT2AMEN1MAPK1LPAR1BTK
SCHEMBL12891851 1.00 KMT2A (0.39) KMT2AMEN1MAPK1LPAR1BTK
SCHEMBL28564855 0.89 KMT2A (0.40) KMT2AMEN1MAPK1BTKALDH1A1
SCHEMBL7897717 0.88 KMT2A (0.38) KMT2AMEN1MAPK1BTKALDH1A1
SCHEMBL14631900 0.88 LPAR1 (0.34) LPAR1
SCHEMBL12891846 0.88 KMT2A (0.39) KMT2AMEN1MAPK1ALDH1A1CACNA1H
SCHEMBL6838872 0.88 MEN1 (0.39) KMT2AMEN1MAPK1BTKGAA
SCHEMBL6838875 0.88 MEN1 (0.39) KMT2AMEN1MAPK1BTKGAA
SCHEMBL6237174 0.88 MEN1 (0.39) KMT2AMEN1MAPK1BTKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417108-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2016-08-17 — — EP disclosed
US-9206232-B2 Organic compounds and their uses NOVARTIS AG (CH) 2015-12-08 — — US disclosed
US-9206232-B2 Organic compounds and their uses NOVARTIS AG (CH) 2015-12-08 — — US disclosed
US-9011833-B2 Vitamin E formulations of sulfamide NS3 inhibitors NOVARTIS AG (CH) 2015-04-21 — — US disclosed
US-9011833-B2 Vitamin E formulations of sulfamide NS3 inhibitors NOVARTIS AG (CH) 2015-04-21 — — US disclosed
US-20140357551-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2014-12-04 — — US disclosed
US-20140357551-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2014-12-04 — — US disclosed
US-8840878-B2 Peptidomimetic sulfamide compounds and antiviral uses thereof NOVARTIS AG (CH) 2014-09-23 — — US disclosed
US-8840878-B2 Peptidomimetic sulfamide compounds and antiviral uses thereof NOVARTIS AG (CH) 2014-09-23 — — US disclosed
US-8512690-B2 Derivatised proline containing peptide compounds as protease inhibitors NOVARTIS AG (CH) 2013-08-20 — — US disclosed
US-20130190229-A1 VITAMIN E FORMULATIONS OF SULFAMIDE NS3 INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2013-07-25 — — US disclosed
US-20130190229-A1 VITAMIN E FORMULATIONS OF SULFAMIDE NS3 INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2013-07-25 — — US disclosed
US-20130034519-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-02-07 — — US disclosed
US-20130034519-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-02-07 — — US disclosed
US-20130022572-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-01-24 — — US disclosed
US-20130022572-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-01-24 — — US disclosed
WO-2012048235-A1 VITAMIN E FORMULATIONS OF SULFAMIDE NS3 INHIBITORS NOVARTIS AG (CH) 2012-04-12 — — WO disclosed
WO-2010116248-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-10-14 — — WO disclosed
US-20100260709-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-10-14 — — US disclosed
US-20100260709-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-10-14 — — 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-20130022572-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 KMT2A 3407/4885MEN1 2302/4885MAPK1 4830/4885
US-20100260709-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 KMT2A 3407/4885MEN1 2302/4885MAPK1 4830/4885
US-20130034519-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 KMT2A 3407/4885MEN1 2302/4885MAPK1 4830/4885
US-20130190229-A1 VITAMIN E FORMULATIONS OF SULFAMIDE NS3 INHIBITORS TTPA, SULT1E1, SQOR KMT2A 2092/4885MEN1 4819/4885MAPK1 4712/4885
US-20140357551-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 KMT2A 3423/4885MEN1 1962/4885MAPK1 4722/4885

“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.