SCHEMBL16049564

SCHEMBL16049564

Nc1c(F)ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.58
PKLR P30613 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
GAA P10253 2/20 0.48
FABP4 P15090 1/20 0.48
ALDH1A1 P00352 1/20 0.47
IKBKB O14920 1/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
CYP26A1 O43174 1/20 0.44
CYP2C9 P11712 1/20 0.44
ATIC P31939 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL16049705 0.81 CA1 (0.59) PKLRMAPK1CA1CA2TSHR
SCHEMBL15713386 0.78 PTK2B (0.59) PTK2BMAPK1HTTCA12CA1
SCHEMBL21976467 0.78 PKLR (0.44) PTK2BPKLRCA1CA2ALDH1A1
SCHEMBL5330069 0.78 PTK2B (0.71) PTK2BMAPK1HTTCA12CA1
SCHEMBL16049729 0.76 TSHR (0.59) PTK2BMAPK1HTTCA12CA1
SCHEMBL21104597 0.74 SMN1; SMN2 (0.57) MAPK1HTTCA12CA1CA2
SCHEMBL3561847 0.72 PTK2B (0.52) PTK2BMAPK1HTTTSHRTDP1
SCHEMBL3557447 0.71 PTK2B (0.61) PTK2BMAPK1HTTTSHRTDP1
SCHEMBL1028840 0.71 CA1 (0.71) MAPK1CA12CA1CA2CA9
SCHEMBL28036324 0.71 CA9 (0.77) HTTCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
US-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 US disclosed
US-20160046579-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2016-02-18 US disclosed
EP-2970189-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Agios Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
CN-105121425-A Therapeutic compounds and compositions AGIOS PHARMACEUTICALS INC 2015-12-02 CN disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 US disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 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 (3 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-20160046579-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 PTK2B 626/4885PKLR 19/4885MAPK1 485/4885
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 PTK2B 656/4885PKLR 14/4885MAPK1 432/4885
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 PTK2B 656/4885PKLR 14/4885MAPK1 432/4885

“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.