SCHEMBL877772

SCHEMBL877772

CC1(C)OC[C@](C)(C(=O)O)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNA4 P22459 1/20 0.30
KCNA1 Q09470 1/20 0.30
KCNAB1 Q14722 1/20 0.30

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
SCHEMBL1829037 1.00 FFAR3 (0.35) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL877771 1.00 FFAR3 (0.35) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL2035911 0.98 FFAR3 (0.33) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL2657443 0.83 KCNA4 (0.31) KCNA4KCNA1KCNAB1
SCHEMBL335112 0.82
SCHEMBL948961 0.82
SCHEMBL9981013 0.79 FFAR3 (0.41) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL7567329 0.79 FFAR3 (0.33) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL5363480 0.77 CA1 (0.33) KCNA4KCNA1KCNAB1
Lithium Ion SCHEMBL2035907 0.77 KCNA4 (0.32) KCNA4KCNA1KCNAB1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557847-B2 Synergistic modulation of FLT3 kinase using a FLT3 inhibitor and a farnesyl transferase inhibitor JANSSEN PHARMACEUTICA, N.V. (BE) 2013-10-15 US disclosed
US-8227627-B2 Prodrugs of tetrahydrocannabinol, compositions comprising prodrugs of tetrahydrocannabinol and methods of using the same ALLTRANZ INC. (US) 2012-07-24 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20110243884-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES THE BIONICS INSTITUTE OF AUSTRALIA (AU) 2011-10-06 US disclosed
EP-2355853-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES The Bionic Ear Institute (AU) 2011-08-17 EP disclosed
EP-2340271-A1 POLYMER-BIOACTIVE AGENT CONJUGATES The Bionic Ear Institute (AU) 2011-07-06 EP disclosed
EP-2315754-A1 PYRIMIDYL SULFONAMINDE DERIVATIVE AND ITS USE FOR THE TREATMENT OF CHEMOKINE MEDIATED DISEASES AstraZeneca AB (SE) 2011-05-04 EP disclosed
WO-2010007427-A1 PYRIMIDYL SULFONAMINDE DERIVATIVE AND ITS USE FOR THE TREATMENT OF CHEMOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-01-21 WO disclosed
US-20100016275-A1 NOVEL COMPOUND 395 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-20090197913-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR BAUMANN CHRISTIAN ANDREW 2009-08-06 US disclosed
US-20090143462-A1 Products of Tetrahydrocannabinol, Compositions Comprising Prodrugs of Tetrahydrocannabinol and Methods of Using the Same ALLTRANZ (US) 2009-06-04 US disclosed
WO-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 WO disclosed
US-4234490-A Intermediates in the synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1980-11-18 US disclosed
US-4201879-A Hydroquinones HOFFMANN-LA ROCHE INC. (US) 1980-05-06 US disclosed
US-4153614-A Synthesis of (S)-(+)-6-hydroxy-2,5,7,8-tetramethylchroman-2-methanol and intermediates therein HOFFMANN-LA ROCHE INC. (US) 1979-05-08 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP FFAR3 4112/4885MAPK1 2575/4885TP53 561/4885
US-20110243884-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES BMP2, MKI67, FGF2 FFAR3 2070/4885MAPK1 2688/4885TP53 1011/4885
US-20090143462-A1 Products of Tetrahydrocannabinol, Compositions Comprising Prodrugs of Tetrahydrocannabinol and Methods of Using the Same CNR2, CNR1, FAAH FFAR3 360/4885MAPK1 3921/4885TP53 3790/4885
US-20100016275-A1 NOVEL COMPOUND 395 CCL5, CCL2, CCL11 FFAR3 1268/4885MAPK1 355/4885TP53 3096/4885
US-20090197913-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR FLT3, MCL1, CSF1R FFAR3 3767/4885MAPK1 766/4885TP53 121/4885

“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.