SCHEMBL3546972

SCHEMBL3546972

CCCCc1cnnn1CCC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.51
DUT P33316 5/20 0.37
TOP2A P11388 2/20 0.35
SLC9A1 P19634 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HSD11B1 P28845 1/20 0.32
TBXAS1 P24557 1/20 0.32
ALOX5 P09917 3/20 0.32
MGMT P16455 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL9926326 0.94 GGPS1 (0.51) GGPS1DUTTOP2ASLC9A1TBXAS1
SCHEMBL3540867 0.93 GGPS1 (0.53) GGPS1DUTSLC9A1TBXAS1TLR7
SCHEMBL18363789 0.93 GGPS1 (0.53) GGPS1DUTSLC9A1TBXAS1TLR7
SCHEMBL12235384 0.93 GGPS1 (0.53) GGPS1DUTSLC9A1TBXAS1TLR7
SCHEMBL5020876 0.93 GGPS1 (0.53) GGPS1DUTSLC9A1TBXAS1TLR7
SCHEMBL9926336 0.92 GGPS1 (0.51) GGPS1DUTTOP2ASLC9A1ALOX5
SCHEMBL3566468 0.91 GGPS1 (0.50) GGPS1DUTTOP2ASLC9A1TBXAS1
SCHEMBL10080841 0.89 GGPS1 (0.50) GGPS1DUTTOP2ASLC9A1TBXAS1
SCHEMBL17662264 0.89 GGPS1 (0.50) GGPS1DUTTOP2ASLC9A1TBXAS1
SCHEMBL17167330 0.89 GGPS1 (0.50) GGPS1DUTTOP2ASLC9A1TBXAS1

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 68 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-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-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-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapetics Inc. (US) 2012-04-26 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-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 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 3332/4885TOP2A 1532/4885
US-20080262200-A1 Triazole Macrocycle Systems FLT3, VIP, NGLY1 GGPS1 1017/4885DUT 3016/4885TOP2A 3664/4885
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GGPS1 1373/4885DUT 4168/4885TOP2A 3123/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GGPS1 1228/4885DUT 2173/4885TOP2A 2506/4885
US-20170226177-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM GGPS1 1581/4885DUT 4739/4885TOP2A 4254/4885
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 GGPS1 1017/4885DUT 3016/4885TOP2A 3664/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP GGPS1 2366/4885DUT 3685/4885TOP2A 2918/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL GGPS1 2545/4885DUT 3558/4885TOP2A 2180/4885
US-20170247423-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION VIP, SPPL2B, HM13 GGPS1 1297/4885DUT 3345/4885TOP2A 3272/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GGPS1 2395/4885DUT 3706/4885TOP2A 2744/4885
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L GGPS1 1414/4885DUT 3351/4885TOP2A 3780/4885
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GGPS1 1228/4885DUT 2173/4885TOP2A 2506/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP GGPS1 1228/4885DUT 2173/4885TOP2A 2506/4885
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GGPS1 2395/4885DUT 3706/4885TOP2A 2744/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 GGPS1 1248/4885DUT 1429/4885TOP2A 972/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 GGPS1 1106/4885DUT 4055/4885TOP2A 3947/4885

“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.