SCHEMBL4876936

SCHEMBL4876936

FC(F)(F)c1cccc(Nc2nc(CCl)cs2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.61
MAPT P10636 11/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
GPR35 Q9HC97 1/20 0.52
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
UBE2N P61088 1/20 0.50
MAPK1 P28482 2/20 0.49
IDH2 P48735 2/20 0.49

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
SCHEMBL10464324 0.87 VCP (0.58) VCPMAPTNPSR1HPGDHTT
SCHEMBL28007623 0.83 VCP (0.54) VCPMAPTNPSR1HPGDHTT
SCHEMBL14069823 0.82 MAPT (0.59) VCPMAPTNPSR1HPGDHTT
SCHEMBL30956254 0.81 VCP (0.63) VCPMAPTNPSR1MEN1KMT2A
SCHEMBL29274280 0.81 VCP (0.63) VCPMAPTNPSR1MEN1KMT2A
SCHEMBL23540119 0.80 VCP (0.62) VCPMAPTNPSR1MEN1KMT2A
SCHEMBL30041339 0.80 VCP (0.62) VCPMAPTNPSR1MEN1KMT2A
SCHEMBL3103783 0.78 GAA (0.57) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL10466160 0.76 VCP (0.58) VCPMAPTNPSR1HPGDHTT
SCHEMBL7267313 0.76 VCP (0.80) VCPMAPTNPSR1CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
EP-1742942-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005097784-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2005-10-20 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 (1 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-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST VCP 742/4885MAPT 1228/4885NPSR1 4118/4885

“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.