SCHEMBL3540514

SCHEMBL3540514

CCCCCCc1cnnn1CCCCC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.53
SLC9A1 P19634 3/20 0.41
DUT P33316 4/20 0.41
TBXAS1 P24557 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
TLR7 Q9NYK1 2/20 0.38
ALOX5 P09917 2/20 0.36
MGLL Q99685 1/20 0.35
KCNH2 Q12809 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL21318209 1.00 GGPS1 (0.53) GGPS1SLC9A1DUTTBXAS1GPR84
SCHEMBL18364144 1.00 GGPS1 (0.53) GGPS1SLC9A1DUTTBXAS1GPR84
SCHEMBL18364143 1.00 GGPS1 (0.53) GGPS1SLC9A1DUTTBXAS1GPR84
SCHEMBL5020918 1.00 GGPS1 (0.53) GGPS1SLC9A1DUTTBXAS1GPR84
SCHEMBL23619204 1.00 GGPS1 (0.53) GGPS1SLC9A1DUTTBXAS1GPR84
SCHEMBL12510483 1.00 GGPS1 (0.53) GGPS1SLC9A1DUTTBXAS1GPR84
SCHEMBL24975735 1.00 GGPS1 (0.53) GGPS1SLC9A1DUTTBXAS1GPR84
SCHEMBL3543401 0.98 GGPS1 (0.51) GGPS1SLC9A1DUTTBXAS1GPR84
SCHEMBL17167330 0.96 GGPS1 (0.50) GGPS1SLC9A1DUTTBXAS1GPR84
SCHEMBL10078113 0.96 GGPS1 (0.53) GGPS1SLC9A1DUTTBXAS1GPR84

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 65 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
EP-2564863-B1 Triazole linked macrocyclic peptides AILERON THERAPEUTICS INC (US) 2017-08-23 EP disclosed
EP-2564863-A2 Triazole linked macrocyclic peptides Aileron Therapeutics, Inc. (US) 2013-03-06 EP disclosed
EP-2564862-A2 Triazole linked macrocyclic peptides Aileron Therapeutics, Inc. (US) 2013-03-06 EP disclosed
US-20130023646-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-01-24 US disclosed
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapetics Inc. (US) 2012-04-26 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-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES AILERON THERAPEUTICS, INC. (US) 2010-11-25 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-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 (13 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 1733/4885SLC9A1 3297/4885DUT 3332/4885
US-20080262200-A1 Triazole Macrocycle Systems FLT3, VIP, NGLY1 GGPS1 1017/4885SLC9A1 4796/4885DUT 3016/4885
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GGPS1 1373/4885SLC9A1 4318/4885DUT 4168/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GGPS1 1228/4885SLC9A1 4826/4885DUT 2173/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP GGPS1 2366/4885SLC9A1 4816/4885DUT 3685/4885
US-20130023646-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GGPS1 1228/4885SLC9A1 4826/4885DUT 2173/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL GGPS1 2545/4885SLC9A1 4254/4885DUT 3558/4885
US-20170247423-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION VIP, SPPL2B, HM13 GGPS1 1297/4885SLC9A1 3468/4885DUT 3345/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GGPS1 2395/4885SLC9A1 4041/4885DUT 3706/4885
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GGPS1 1228/4885SLC9A1 4826/4885DUT 2173/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 GGPS1 1548/4885SLC9A1 4830/4885DUT 3729/4885
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GGPS1 2395/4885SLC9A1 4041/4885DUT 3706/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 GGPS1 1106/4885SLC9A1 4839/4885DUT 4055/4885

“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.