SCHEMBL904392

SCHEMBL904392

CC(Nc1ccc(CN)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLG P00747 5/20 0.47
KLK1 P06870 4/20 0.47
KLK6 Q92876 4/20 0.47
LOXL2 Q9Y4K0 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TPSAB1 Q15661 4/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
PRSS1 P07477 1/20 0.41
KLKB1 P03952 4/20 0.41
PLAU P00749 1/20 0.41
BACE1 P56817 1/20 0.40

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
SCHEMBL904391 1.00 PLG (0.47) PLGKLK1KLK6LOXL2CA12
SCHEMBL4275810 0.84 ADAMTS4 (0.43) CA12CA1CA2CA9CA14
SCHEMBL4275813 0.84 ADAMTS4 (0.43) CA12CA1CA2CA9CA14
SCHEMBL27999415 0.83 CFD (0.51) LOXL2
SCHEMBL4441635 0.83 CFD (0.50) PLGKLK1KLK6LOXL2BACE1
SCHEMBL28377241 0.83 SLC7A5 (0.59) KDM4ESMN1; SMN2
SCHEMBL29091831 0.82 POLB (0.47) CA2KDM4ESMN1; SMN2PLAU
Hydrochloric Acid SCHEMBL3619634 0.81 CFD (0.49) PLGKLK1KLK6LOXL2BACE1
SCHEMBL5955038 0.81 SLC1A3 (0.55)
SCHEMBL5955043 0.81 SLC1A3 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102725639-A Positively charged species as binding reagents in the separation of protein aggregates from monomers NOVARTIS AG 2012-10-10 CN claimed
US-10940159-B2 Combination immediate/delayed release delivery system for short half-life pharmaceuticals including remogliflozin ISLET SCIENCES 2021-03-09 US disclosed
EP-3515926-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS Codexis, Inc. (US) 2019-07-31 EP disclosed
EP-3471744-A1 ENGINEERED BETA-GLUCOSIDASES AND GLUCOSYLATION METHODS Codexis, Inc. (US) 2019-04-24 EP disclosed
CN-104379146-B Inhibit the composition and method of varial polymerases 拜奥克里斯特制药公司 2018-07-10 CN disclosed
WO-2018038906-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS, INC. (US) 2018-03-01 WO disclosed
WO-2017218325-A1 ENGINEERED BETA-GLUCOSIDASES AND GLUCOSYLATION METHODS CODEXIS, INC. (US) 2017-12-21 WO disclosed
CN-107080846-A Combined immediate/delayed release delivery system for short half-life drugs including remogliflozin 詹姆斯.特林卡.格林 2017-08-22 CN disclosed
CN-106573073-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2017-04-19 CN disclosed
CN-106456701-A Modulation of complement activity RA制药公司 2017-02-22 CN disclosed
CN-102725639-A Positively charged species as binding reagents in the separation of protein aggregates from monomers NOVARTIS AG 2012-10-10 CN disclosed
WO-2012006398-A2 COMBINATION IMMEDIATE/DELAYED RELEASE DELIVERY SYSTEM FOR SHORT HALF-LIFE PHARMACEUTICALS INCLUDING REMOGLIFLOZIN BHV PHARMA, INC. (US) 2012-01-12 WO disclosed
CN-101072561-B Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC 2011-05-11 CN disclosed
EP-1063973-A4 BIPHASIC CONTROLLED RELEASE DELIVERY SYSTEM FOR HIGH SOLUBILITY PHARMACEUTICALS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2008-11-19 EP disclosed
CN-101072561-A Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC (US) 2007-11-14 CN disclosed
US-6660300-B1 Antidiabetic metformin HCl salt; high water solubility and a limited window of absorption; hydrophilic and hydrophobic polymers BRISTOL-MYERS SQUIBB CO. 2003-12-09 US disclosed
US-6475521-B1 Biphasic controlled release delivery system for high solubility pharmaceuticals and method BRISTOL-MYERS SQUIBB CO. 2002-11-05 US disclosed
EP-1063973-A1 BIPHASIC CONTROLLED RELEASE DELIVERY SYSTEM FOR HIGH SOLUBILITY PHARMACEUTICALS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-01-03 EP disclosed
WO-1999047128-A1 BIPHASIC CONTROLLED RELEASE DELIVERY SYSTEM FOR HIGH SOLUBILITY PHARMACEUTICALS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-23 WO disclosed
WO-1993000108-A1 NOVEL INHIBITORS OF PLATELET AGGREGATION CORVAS INTERNATIONAL, INC. (US) 1993-01-07 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 (1 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-10940159-B2 Combination immediate/delayed release delivery system for short half-life pharmaceuticals including remogliflozin GLP1R, SLC5A2, SI PLG 1927/4885KLK1 1968/4885KLK6 1430/4885

“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.