SCHEMBL3217835

SCHEMBL3217835

O=C(O)NS(=O)(=O)NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
CCR3 P51677 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SOAT1 P35610 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX1 P07099 1/20 0.42
MMP2 P08253 2/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL6639307 0.76 LMNA (0.42) ALDH1A1CYP2D6CYP2C19
SCHEMBL7568101 0.74 SMN1; SMN2 (0.46) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL30801085 0.73 CA2 (0.63) ALDH1A1SMN1; SMN2NPSR1L3MBTL1CYP1A2
SCHEMBL16300320 0.73 CA2 (0.63) ALDH1A1SMN1; SMN2NPSR1L3MBTL1CYP1A2
SCHEMBL7086849 0.72 HDAC1 (0.46) ALDH1A1KDM4ENPSR1MMP2MMP9
SCHEMBL3221517 0.70 CYP2C19 (0.41) CYP2C19
SCHEMBL14350793 0.70 ALDH1A1 (0.66) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL9505332 0.70 ALDH1A1 (0.66) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL13647281 0.70 ALDH1A1 (0.66) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL3511543 0.70 HTT (0.56) HTTALDH1A1NCOA1SMN1; SMN2NCOA3

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-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 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 (3 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 HTT 3900/4885ALDH1A1 212/4885NCOA1 338/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 HTT 3997/4885ALDH1A1 118/4885NCOA1 236/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 HTT 3900/4885ALDH1A1 212/4885NCOA1 338/4885

“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.