SCHEMBL4197989

SCHEMBL4197989

C[C@@H](CC1CCCCC1)NCc1ccccc1NS(=O)(=O)c1ccc2c(c1)COC(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
POLB P06746 5/20 0.36
LMNA P02545 4/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLO1 Q04760 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
SCHEMBL4190344 0.99 PKM (0.40) PKMKDM4EALDH1A1BRD4SMN1; SMN2
SCHEMBL4201904 0.87 PKM (0.56) PKMALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL4202479 0.86 PKM (0.57) PKMALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL4189928 0.85 PKM (0.49) PKMKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL4195571 0.83 PKM (0.44) PKMKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL4185954 0.82 PKM (0.43) PKMKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL4193422 0.81 PKM (0.42) PKMKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL14344011 0.81 PKM (0.42) PKMKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL14343990 0.80 PKM (0.41) PKMKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL4202494 0.79 ATM (0.49) PKMKDM4EALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280697-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC 2016-09-29 US claimed
US-9328077-B2 Bicyclic PKM2 activators AGIOS PHARMACEUTICALS, INC (US) 2016-05-03 US claimed
EP-2655350-B1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS INC (US) 2016-03-09 EP claimed
US-9181231-B2 Pyruvate kinase activators for use for increasing lifetime of the red blood cells and treating anemia AGIOS PHARMACEUTICALS, INC (US) 2015-11-10 US claimed
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC (US) 2014-06-26 US claimed
US-20140011804-A1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-01-09 US claimed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed
WO-2012151440-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC. (US) 2012-11-08 WO claimed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US claimed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed
US-10087169-B2 Bicyclic PKM2 activators AGIOS PHARMACEUTICALS, INC. (US) 2018-10-02 US disclosed
US-20170369481-A1 Bicyclic PKM2 Activators AGIOS PHARMACEUTICALS, INC. 2017-12-28 US disclosed
US-20160280697-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC 2016-09-29 US disclosed
US-9328077-B2 Bicyclic PKM2 activators AGIOS PHARMACEUTICALS, INC (US) 2016-05-03 US disclosed
EP-2655350-B1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS INC (US) 2016-03-09 EP disclosed
US-20140011804-A1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-01-09 US disclosed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
WO-2012151440-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 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-10087169-B2 Bicyclic PKM2 activators PDK2, PDK3, PDK1 PKM 6/4885KDM4E 630/4885ALDH1A1 2044/4885
US-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 PKM 1855/4885KDM4E 3328/4885ALDH1A1 2744/4885
US-20140011804-A1 BICYCLIC PKM2 ACTIVATORS PDK2, PDK1, PDK3 PKM 5/4885KDM4E 700/4885ALDH1A1 1184/4885
US-20160280697-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE PDK1, PDK2, PCK1 PKM 7/4885KDM4E 803/4885ALDH1A1 1936/4885
US-20170369481-A1 Bicyclic PKM2 Activators PDK2, PDK3, PDK1 PKM 6/4885KDM4E 630/4885ALDH1A1 2044/4885
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA PCK1, PDK2, PFKP PKM 9/4885KDM4E 1772/4885ALDH1A1 1010/4885

“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.