SCHEMBL7439490

SCHEMBL7439490

CCOc1ccc(N(CCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.46
MMP3 P08254 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL7432977 0.86 MAPT (0.61) POLBKEAP1NFE2L2ALDH1A1MAPT
SCHEMBL28092846 0.75 MEN1 (0.58) KDM4EALDH1A1CYP2C9MMP3KMT2A
SCHEMBL3838908 0.75 KMT2A (0.51) POLBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21708238 0.74 ALDH1A1 (0.52) POLBKEAP1NFE2L2ALDH1A1MAPT
SCHEMBL1098090 0.70 MEN1 (0.44) KDM4EALDH1A1MAPTMMP3MMP2
SCHEMBL7988935 0.70 CASR (0.43) KDM4EKEAP1NFE2L2ALDH1A1TSHR
SCHEMBL13631951 0.70 TSHR (0.43) KDM4EALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL1098240 0.68 MEN1 (0.44) KDM4EALDH1A1MAPTMMP3MMP2
SCHEMBL1098547 0.68 LMNA (0.48) KDM4EALDH1A1CYP3A4TSHRMAPT
SCHEMBL6327799 0.68 AURKA (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT

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-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors EMORY UNIVERSITY 2002-09-12 US disclosed
WO-2002047679-A2 NONPEPTIDE AGONISTS AND ANTAGONISTS OF VASOPRESSIN RECEPTORS EMORY UNIVERSITY (US) 2002-06-20 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-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors AVPR1A, AVPR2, AVPR1B POLB 4303/4885KDM4E 4391/4885KEAP1 3809/4885

“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.