SCHEMBL2889914

SCHEMBL2889914

Cc1ccc(S(=O)(=O)n2cc(C(F)(F)F)c3c(Cl)ccnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 6/20 0.39
GAA P10253 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
HTT P42858 3/20 0.37
POLB P06746 1/20 0.37
ALDH3A1 P30838 1/20 0.37
NOD1 Q9Y239 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL15805309 0.86 HSD11B1 (0.44) HSD11B1L3MBTL1KDM4EALDH1A1GAA
SCHEMBL13593701 0.84 EPHX2 (0.42) L3MBTL1ALDH1A1GAAHTTLMNA
SCHEMBL2885747 0.84 L3MBTL1 (0.46) HSD11B1L3MBTL1KDM4EALDH1A1PTGDR2
SCHEMBL2888387 0.84 L3MBTL1 (0.48) HSD11B1L3MBTL1KDM4EALDH1A1PTGDR2
SCHEMBL25278649 0.81 CA1 (0.47) HSD11B1L3MBTL1KDM4EALDH1A1GAA
SCHEMBL16023210 0.81 CA1 (0.47) HSD11B1L3MBTL1KDM4EALDH1A1GAA
SCHEMBL2881500 0.81 L3MBTL1 (0.46) HSD11B1L3MBTL1KDM4EALDH1A1MEN1
SCHEMBL30668758 0.81 L3MBTL1 (0.46) HSD11B1L3MBTL1KDM4EALDH1A1MEN1
SCHEMBL16967783 0.81 KDM4E (0.51) HSD11B1L3MBTL1KDM4EALDH1A1CYP2C9
SCHEMBL2882509 0.80 L3MBTL1 (0.44) HSD11B1L3MBTL1KDM4EALDH1A1PTGDR2

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-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
EP-1742945-B1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER SCHERING PHARMA AG (DE) 2009-12-30 EP disclosed
US-7528146-B2 Substituted 1H-pyrrolo[2,3-b]pyridines and preparation thereof LANXESS DEUTSCHLAND GMBH (DE) 2009-05-05 US disclosed
US-7528146-B2 Substituted 1H-pyrrolo[2,3-b]pyridines and preparation thereof LANXESS DEUTSCHLAND GMBH (DE) 2009-05-05 US disclosed
US-7528146-B2 Substituted 1H-pyrrolo[2,3-b]pyridines and preparation thereof LANXESS DEUTSCHLAND GMBH (DE) 2009-05-05 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
EP-1742945-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
EP-1671970-A1 Substituted 1H-pyrrolo(2,3-b)pyridines and preparation thereof Lanxess Deutschland GmbH (DE) 2006-06-21 EP disclosed
US-20060128661-A1 Novel substituted 1H-pyrrolo[2,3-b]pyridines and preparation thereof LANXESS DEUTSCHLAND GMBH (DE) 2006-06-15 US disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 WO disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 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 (2 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-20080269268-A1 Substituted Phenylamino-Pyrimidines TYMP, DPYD, HPRT1 HSD11B1 4240/4885L3MBTL1 1807/4885KDM4E 2250/4885
US-20060128661-A1 Novel substituted 1H-pyrrolo[2,3-b]pyridines and preparation thereof FARS2, FARSB, PYCR1 HSD11B1 619/4885L3MBTL1 4764/4885KDM4E 2579/4885

“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.