SCHEMBL8367402

SCHEMBL8367402

CCCC(CC)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.46
TAS1R1 Q7RTX1 7/20 0.46
PLA2G2C Q5R387 6/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
CA9 Q16790 1/20 0.40
PLA2G2A P14555 1/20 0.39
CRAT P43155 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ACACB O00763 1/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37

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
SCHEMBL10033481 0.90 TAS1R3 (0.50) TAS1R3TAS1R1PLA2G2CPLA2G2ACRAT
SCHEMBL13715798 0.86 PLA2G2C (0.59) PLA2G2CCA1CA2PLA2G2A
SCHEMBL422585 0.85
SCHEMBL8513712 0.85 PLA2G2C (0.57) PLA2G2CCA1PLA2G2A
SCHEMBL14007401 0.84 PLA2G2C (0.40) TAS1R3TAS1R1PLA2G2CCA12CA1
SCHEMBL10581621 0.83 PLA2G2C (0.60) PLA2G2CPLA2G2A
SCHEMBL13840537 0.83 PLA2G2C (0.60) PLA2G2CPLA2G2A
SCHEMBL7041741 0.82 PLA2G2C (0.39) TAS1R3TAS1R1PLA2G2CCA12CA1
SCHEMBL17919112 0.82 ALDH1A1 (0.41) TAS1R3TAS1R1PLA2G2CCA12CA1
SCHEMBL11506429 0.82 PLA2G2C (0.59) TAS1R3TAS1R1PLA2G2CCA1CA2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148179-A1 SMALL MOLECULE INHIBITORS OF SARS-CoV-2 VIRAL REPLICATION AND USES THEREOF NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
EP-3288945-B1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-18 EP disclosed
EP-3357916-A1 BENZAMIDE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2018-08-08 EP disclosed
EP-2748167-B1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-03-01 EP disclosed
WO-2014168711-A1 PRIMERS FOR DNA METHYLATION ANALYSIS SEQUENOM, INC. (US) 2014-10-16 WO disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO 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 (4 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-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 TAS1R3 1607/4885TAS1R1 2146/4885PLA2G2C 1503/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 TAS1R3 1635/4885TAS1R1 640/4885PLA2G2C 2182/4885
US-20230148179-A1 SMALL MOLECULE INHIBITORS OF SARS-CoV-2 VIRAL REPLICATION AND USES THEREOF ACE2, ACE, SARS1 TAS1R3 3632/4885TAS1R1 3567/4885PLA2G2C 2843/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C TAS1R3 563/4885TAS1R1 492/4885PLA2G2C 3412/4885

“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.