SCHEMBL9926326

SCHEMBL9926326

CCCCCc1cnnn1CCC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.51
DUT P33316 5/20 0.39
TBXAS1 P24557 1/20 0.37
TLR7 Q9NYK1 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
TOP2A P11388 1/20 0.34
ALOX5 P09917 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC9A1 P19634 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
SCHEMBL5020876 0.98 GGPS1 (0.53) GGPS1DUTTBXAS1TLR7GPR84
SCHEMBL12235384 0.98 GGPS1 (0.53) GGPS1DUTTBXAS1TLR7GPR84
SCHEMBL18363789 0.98 GGPS1 (0.53) GGPS1DUTTBXAS1TLR7GPR84
SCHEMBL3540867 0.98 GGPS1 (0.53) GGPS1DUTTBXAS1TLR7GPR84
SCHEMBL3546972 0.94 GGPS1 (0.51) GGPS1DUTTBXAS1TLR7TOP2A
SCHEMBL3543401 0.93 GGPS1 (0.51) GGPS1DUTTBXAS1TLR7GPR84
SCHEMBL3546670 0.93 GGPS1 (0.51) GGPS1DUTTBXAS1TLR7GPR84
SCHEMBL23619204 0.91 GGPS1 (0.53) GGPS1DUTTBXAS1TLR7GPR84
SCHEMBL10078113 0.91 GGPS1 (0.53) GGPS1DUTTBXAS1TLR7GPR84
SCHEMBL12510483 0.91 GGPS1 (0.53) GGPS1DUTTBXAS1TLR7GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 US disclosed
US-20170298099-A1 BIOLOGICALLY ACTIVE 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-20170247423-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION DANA-FARBER CANCER INSTITUTE, INC. 2017-08-31 US disclosed
US-20170226177-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-08-10 US disclosed
US-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-06-14 US disclosed
US-20120115793-A1 PEPTIDOMIMETIC MACROCYCLES Alleron therapeutics, Inc (US) 2012-05-10 US disclosed
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC. (US) 2012-02-16 US disclosed
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2011-10-27 US disclosed
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2011-09-15 US disclosed
US-7981999-B2 Peptidomimetics; kits; macrocyclization AILERON THERAPEUTICS, INC. (US) 2011-07-19 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
US-20080262200-A1 Triazole Macrocycle Systems AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2008-10-23 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 (16 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 1733/4885DUT 3332/4885TBXAS1 2642/4885
US-20080262200-A1 Triazole Macrocycle Systems FLT3, VIP, NGLY1 GGPS1 1017/4885DUT 3016/4885TBXAS1 261/4885
US-20170226177-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM GGPS1 1581/4885DUT 4739/4885TBXAS1 3242/4885
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 GGPS1 1017/4885DUT 3016/4885TBXAS1 261/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP GGPS1 2366/4885DUT 3685/4885TBXAS1 4278/4885
US-20120115793-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GGPS1 1373/4885DUT 4168/4885TBXAS1 2135/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL GGPS1 2545/4885DUT 3558/4885TBXAS1 4632/4885
US-20170247423-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION VIP, SPPL2B, HM13 GGPS1 1297/4885DUT 3345/4885TBXAS1 4174/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GGPS1 2395/4885DUT 3706/4885TBXAS1 3851/4885
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L GGPS1 1414/4885DUT 3351/4885TBXAS1 3081/4885
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GGPS1 1228/4885DUT 2173/4885TBXAS1 3454/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP GGPS1 1228/4885DUT 2173/4885TBXAS1 3454/4885
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GGPS1 2395/4885DUT 3706/4885TBXAS1 3851/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 GGPS1 1248/4885DUT 1429/4885TBXAS1 3153/4885
US-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES PCNA, MKI67, NFATC1 GGPS1 1248/4885DUT 1429/4885TBXAS1 3153/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 GGPS1 1106/4885DUT 4055/4885TBXAS1 2116/4885

“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.