SCHEMBL3566504

SCHEMBL3566504

CCCCCn1nncc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
GGPS1 O95749 2/20 0.40
TLR8 Q9NR97 2/20 0.37
TOP2A P11388 1/20 0.36
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
HTT P42858 5/20 0.35
LMNA P02545 3/20 0.35
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
TBXAS1 P24557 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PABPC1 P11940 1/20 0.35
GALR3 O60755 2/20 0.34
POLB P06746 2/20 0.34
ATM Q13315 2/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL24754052 0.98 SLC9A1 (0.42) SLC9A1GGPS1TLR8TOP2ANPC1
SCHEMBL10079215 0.98 SLC9A1 (0.42) SLC9A1GGPS1TLR8TOP2ANPC1
SCHEMBL17570452 0.94 TOP2A (0.41) SLC9A1GGPS1TOP2AALDH1A1POLB
SCHEMBL5021079 0.87 GGPS1 (0.45) SLC9A1GGPS1TLR8TOP2AMPO
SCHEMBL3566468 0.87 GGPS1 (0.50) SLC9A1GGPS1TOP2ATBXAS1MPO
SCHEMBL3543401 0.87 GGPS1 (0.51) SLC9A1GGPS1TOP2ATBXAS1
SCHEMBL14981007 0.86 TOP2A (0.38) SLC9A1GGPS1TOP2AALDH1A1POLB
SCHEMBL12510483 0.85 GGPS1 (0.53) SLC9A1GGPS1TBXAS1
SCHEMBL13073400 0.85 GGPS1 (0.47) SLC9A1GGPS1TOP2ATBXAS1ALDH1A1
SCHEMBL24975735 0.85 GGPS1 (0.53) SLC9A1GGPS1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344275-B1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS INC (US) 2023-03-08 EP 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
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-20120172311-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-07-05 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-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES Alleron therapeutics, Inc (US) 2012-05-10 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-20110250685-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES NASH HUW M 2011-10-13 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

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 SLC9A1 3297/4885GGPS1 1733/4885TLR8 3681/4885
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP SLC9A1 4318/4885GGPS1 1373/4885TLR8 2285/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP SLC9A1 4816/4885GGPS1 2366/4885TLR8 4171/4885
US-20120115793-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP SLC9A1 4318/4885GGPS1 1373/4885TLR8 2285/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL SLC9A1 4254/4885GGPS1 2545/4885TLR8 4742/4885
US-20170247423-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION VIP, SPPL2B, HM13 SLC9A1 3468/4885GGPS1 1297/4885TLR8 661/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 SLC9A1 4041/4885GGPS1 2395/4885TLR8 4409/4885
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L SLC9A1 4773/4885GGPS1 1414/4885TLR8 1736/4885
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP SLC9A1 4318/4885GGPS1 1373/4885TLR8 2285/4885
US-20110250685-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES SLC29A2, SLC29A1, SLC22A3 SLC9A1 743/4885GGPS1 3084/4885TLR8 2817/4885
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP SLC9A1 4826/4885GGPS1 1228/4885TLR8 3710/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP SLC9A1 4826/4885GGPS1 1228/4885TLR8 3710/4885
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 SLC9A1 4041/4885GGPS1 2395/4885TLR8 4409/4885
US-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES PCNA, MKI67, NFATC1 SLC9A1 4605/4885GGPS1 1248/4885TLR8 3122/4885
US-20120172311-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 SLC9A1 4041/4885GGPS1 2395/4885TLR8 4409/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 SLC9A1 4839/4885GGPS1 1106/4885TLR8 652/4885

“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.