SCHEMBL5172102

SCHEMBL5172102

CCCn1ccnc1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
TSHR P16473 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
VDR P11473 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL1885705 0.92 ALDH1A1 (0.47) KDM4EDRD2DRD1DRD4DRD5
SCHEMBL5170673 0.89 SMN1; SMN2 (0.42) KDM4ETSHRKEAP1NFE2L2VDR
SCHEMBL1889711 0.81 KDM4E (0.47) KDM4ETSHRKEAP1NFE2L2VDR
SCHEMBL9309185 0.77 KEAP1 (0.41) KDM4EKEAP1NFE2L2VDRALDH1A1
SCHEMBL2457496 0.76 METAP2 (0.40) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL5658838 0.73 TSHR (0.41) KDM4ETSHRTDP1ALDH1A1
SCHEMBL1885040 0.71 ESR1 (0.47) KDM4ETSHRALDH1A1KMT2AMEN1
SCHEMBL8211578 0.71 ALDH1A1 (0.44) KDM4ETSHRALDH1A1KMT2AGAA
SCHEMBL16934934 0.68 CA12 (0.46) KDM4ETSHRALDH1A1KMT2ACYP3A4
SCHEMBL17395241 0.67 KMT2A (0.40) ALDH1A1KMT2AMEN1POLB

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
EP-1663921-B1 METHOD FOR PRODUCING HALOALKANES FROM ALCOHOLS BASF AG (DE) 2007-05-02 EP claimed
US-20070055084-A1 Method for producing haloalkanes from alcohols BASF AKTIENGESELLSCHAFT (DE) 2007-03-08 US claimed
US-20070055084-A1 Method for producing haloalkanes from alcohols BASF AKTIENGESELLSCHAFT (DE) 2007-03-08 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 (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-20070055084-A1 Method for producing haloalkanes from alcohols ADH1C, HDHD5, ADH5 KDM4E 2710/4885DRD2 1272/4885DRD1 1353/4885

“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.