SCHEMBL3223738

SCHEMBL3223738

CCc1ccc(C(O)c2cc(Br)c(OCc3ccccc3)cc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
FFAR4 Q5NUL3 2/20 0.39
RAB9A P51151 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
FOLH1 Q04609 1/20 0.36
CCR5 P51681 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
SCHEMBL21557913 0.90 LMNA (0.44) SMN1; SMN2RAB9AKEAP1NFE2L2MAPT
SCHEMBL3223036 0.86 RAB9A (0.38) SMN1; SMN2FFAR4RAB9AKEAP1NFE2L2
SCHEMBL21551795 0.85 MAPT (0.42) SMN1; SMN2RAB9AKEAP1NFE2L2MAPT
SCHEMBL2174329 0.83 FFAR4 (0.36) SMN1; SMN2FFAR4RAB9AKEAP1NFE2L2
SCHEMBL20140068 0.83 HTR2A (0.42) SMN1; SMN2FFAR4RAB9AKEAP1NFE2L2
SCHEMBL23700114 0.81 MAOB (0.46) SMN1; SMN2RAB9AMAPTHTR2AHTR2C
SCHEMBL21697595 0.80 SMN1; SMN2 (0.37) SMN1; SMN2FFAR4RAB9AMAPTMAPK1
SCHEMBL1539311 0.80 LIPE (0.45) MAPTMAPK1TDP1L3MBTL1RXRA
SCHEMBL3215337 0.77 MAPT (0.42) SMN1; SMN2FFAR4RAB9AMAPTMAPK1
SCHEMBL20741981 0.76 TDP1 (0.44) SMN1; SMN2FFAR4RAB9AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069460-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-03-18 US disclosed
EP-2103607-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-09-23 EP 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-20100069460-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE SLC5A1, SLC5A2, SLC2A1 SMN1; SMN2 4236/4885FFAR4 1498/4885RAB9A 3641/4885

“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.