SCHEMBL205075

SCHEMBL205075

CCN(CC)S(=O)(=O)c1cc[c]c(Nc2ccc(Br)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 4/20 0.51
HSP90AA1 P07900 1/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 5/20 0.43
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
ALDH3A1 P30838 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL205074 0.80 SMN1; SMN2 (0.67) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL205076 0.79 LMNA (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2932439 0.72 LMNA (0.70) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28247559 0.68 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL264279 0.67 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2041738 0.66 VCAM1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL196097 0.65 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1085990 0.65 LMNA (0.64) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7212214 0.65 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL2706548 0.65 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 (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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 ALDH1A1 109/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALDH1A1 109/4885MEN1 3862/4885KMT2A 3476/4885

“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.