SCHEMBL1449796

SCHEMBL1449796

CCC(C(=O)N[C@@H](CCO)C(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 2/20 0.55
MAPT P10636 1/20 0.55
MME P08473 3/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR88 Q9GZN0 1/20 0.48
KDM4A O75164 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46

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
SCHEMBL9831283 0.90 MME (0.61) KCNQ2MAPTMMEPOLBALDH1A1
SCHEMBL9831290 0.90 MME (0.61) KCNQ2MAPTMMEPOLBALDH1A1
SCHEMBL9828894 0.87 MME (0.63) KCNQ2MAPTMMEPOLBALDH1A1
SCHEMBL9828899 0.87 MME (0.63) KCNQ2MAPTMMEPOLBALDH1A1
SCHEMBL402068 0.85 KMT2A (0.53) KCNQ2MAPTMMEPOLBALDH1A1
SCHEMBL2330911 0.85 LTA4H (0.54) KCNQ2MAPTALDH1A1
SCHEMBL2330908 0.85 LTA4H (0.54) KCNQ2MAPTALDH1A1
SCHEMBL2330325 0.83 MME (0.49) KCNQ2MAPTMMEPOLBALDH1A1
SCHEMBL4268528 0.82 MME (0.61) KCNQ2MAPTMMEPOLBALDH1A1
SCHEMBL4066768 0.82 MME (0.60) KCNQ2MAPTMMEPOLBGPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411390-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS WISCONSIN ALUMNI RES FOUND (US) 2022-12-29 US disclosed
US-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-04-16 US disclosed
US-20170369462-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-28 US disclosed
US-9796694-B2 Modulation of bacterial quorum sensing with synthetic ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-10-24 US disclosed
US-20150080349-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2015-03-19 US disclosed
US-8815943-B2 Modulation of bacterial quorum sensing with synthetic ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-08-26 US disclosed
US-20110212860-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-09-01 US disclosed
US-7910622-B2 Modulation of bacterial quorum sensing with synthetic ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-03-22 US disclosed
US-20080312319-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-18 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 (6 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-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands AHCYL1, EBPL, AIP KCNQ2 3657/4885MAPT 4822/4885MME 2084/4885
US-20170369462-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands AHCYL1, EBPL, AIP KCNQ2 3657/4885MAPT 4822/4885MME 2084/4885
US-20220411390-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS AHCYL1, EBPL, AIP KCNQ2 3657/4885MAPT 4822/4885MME 2084/4885
US-20110212860-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands AHCYL1, EBPL, AIP KCNQ2 3657/4885MAPT 4822/4885MME 2084/4885
US-20080312319-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands AHCYL1, EBPL, AIP KCNQ2 3657/4885MAPT 4822/4885MME 2084/4885
US-20150080349-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS AHCYL1, EBPL, AIP KCNQ2 3657/4885MAPT 4822/4885MME 2084/4885

“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.