SCHEMBL9926336

SCHEMBL9926336

CCCCc1cnnn1CCCC

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.51
TOP2A P11388 2/20 0.40
SLC9A1 P19634 4/20 0.39
DUT P33316 5/20 0.37
GRM2 Q14416 1/20 0.35
ALOX5 P09917 4/20 0.34
NR1H3 Q13133 1/20 0.33

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
SCHEMBL3546670 0.94 GGPS1 (0.51) GGPS1TOP2ASLC9A1DUTGRM2
SCHEMBL3566468 0.94 GGPS1 (0.50) GGPS1TOP2ASLC9A1DUTALOX5
SCHEMBL5021142 0.93 GGPS1 (0.50) GGPS1TOP2ASLC9A1DUTALOX5
SCHEMBL17146870 0.93 GGPS1 (0.53) GGPS1TOP2ASLC9A1DUTALOX5
SCHEMBL17662264 0.93 GGPS1 (0.50) GGPS1TOP2ASLC9A1DUTALOX5
SCHEMBL10080841 0.93 GGPS1 (0.50) GGPS1TOP2ASLC9A1DUTALOX5
SCHEMBL9926332 0.93 GGPS1 (0.53) GGPS1TOP2ASLC9A1DUTALOX5
SCHEMBL17167330 0.93 GGPS1 (0.50) GGPS1TOP2ASLC9A1DUTALOX5
SCHEMBL10078113 0.93 GGPS1 (0.53) GGPS1TOP2ASLC9A1DUTALOX5
SCHEMBL3546972 0.92 GGPS1 (0.51) GGPS1TOP2ASLC9A1DUTALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017218949-A2 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2017-12-21 WO disclosed
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2017-12-21 US disclosed
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-12-07 US disclosed
WO-2017205786-A1 CELL PERMEABLE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2017-11-30 WO disclosed
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 US disclosed
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 US disclosed
US-9789164-B2 Peptides comprising non-natural amino acids and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-17 US disclosed
US-9790262-B2 Compositions comprising glucagon analogs and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-17 US disclosed
US-9782454-B2 Highly active polypeptides and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-10 US disclosed
US-20170266254-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-09-21 US disclosed
US-20130096050-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. (US) 2013-04-18 US disclosed
US-20130072439-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20120190818-A1 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC. (US) 2012-07-26 US disclosed
US-20120178700-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
US-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-06-14 US disclosed
US-20120142846-A1 4- AND 5 SUBSTITUTED 1,2,3-TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF AVOCA LLC 2012-06-07 US disclosed
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2011-09-15 US disclosed
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles AILERON THERAPEUTICS, INC. (US) 2011-06-16 US disclosed
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2010-08-26 US disclosed
US-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 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 (15 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-20170266254-A1 PEPTIDOMIMETIC MACROCYCLES TCF4, CTNNB1, WNT1 GGPS1 1733/4885TOP2A 1532/4885SLC9A1 3297/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP GGPS1 2366/4885TOP2A 2918/4885SLC9A1 4816/4885
US-20120190818-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 GGPS1 1017/4885TOP2A 3664/4885SLC9A1 4796/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL GGPS1 2545/4885TOP2A 2180/4885SLC9A1 4254/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GGPS1 2395/4885TOP2A 2744/4885SLC9A1 4041/4885
US-20130072439-A1 PEPTIDOMIMETIC MACROCYCLES TCF4, WNT1, CTNNB1 GGPS1 1948/4885TOP2A 1560/4885SLC9A1 3567/4885
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GGPS1 1228/4885TOP2A 2506/4885SLC9A1 4826/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP GGPS1 1228/4885TOP2A 2506/4885SLC9A1 4826/4885
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GGPS1 2395/4885TOP2A 2744/4885SLC9A1 4041/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 GGPS1 1248/4885TOP2A 972/4885SLC9A1 4605/4885
US-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES PCNA, MKI67, NFATC1 GGPS1 1248/4885TOP2A 972/4885SLC9A1 4605/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 GGPS1 1106/4885TOP2A 3947/4885SLC9A1 4839/4885
US-20120142846-A1 4- AND 5 SUBSTITUTED 1,2,3-TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF H1-4, NPY4R, RXFP4 GGPS1 3722/4885TOP2A 291/4885SLC9A1 4493/4885
US-20120178700-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GGPS1 1373/4885TOP2A 3123/4885SLC9A1 4318/4885
US-20130096050-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR GGPS1 2683/4885TOP2A 4758/4885SLC9A1 4260/4885

“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.