SCHEMBL5865136

SCHEMBL5865136

Cc1ccc(S(=O)(=O)c2ccc(C)cc2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
POLB P06746 1/20 0.53
GAA P10253 2/20 0.50
RAPGEF4 Q8WZA2 1/20 0.44
HSD11B1 P28845 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 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
SCHEMBL28539914 0.83 HSD11B1 (0.61) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15228357 0.80 PIK3CD (0.44) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10535762 0.79 KDM4E (0.39) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19682468 0.79 TRPV4 (0.43) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12949234 0.77 KDM4E (0.51) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12697211 0.76 XDH (0.50) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9713772 0.76 HTR6 (0.50) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11179994 0.76 RAPGEF4 (0.62) KDM4EGAARAPGEF4MEN1KMT2A
SCHEMBL16261511 0.73 ALDH1A1 (0.43) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6142648 0.73 GAA (0.56) KDM4EPOLBGAARAPGEF4HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125999-B2 Process for producing organotitanium compound and process for addition reaction NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2006-10-24 US disclosed
US-20040167344-A1 Process for producing organotitanium compound and process for addition reaction FUMIE SATO 2004-08-26 US disclosed
US-6743916-B2 REACTING AN ACETYLENE COMPOUND IN THE PRESENCE OF A TITANIUM COMPOUND AND GRIGNARD REAGENT TO OBTAIN ORGANOTITANIUM COMPOUND Sato, Fumie (JP) 2004-06-01 US disclosed
US-20030096996-A1 Process for producing organotitanium compound and process for addition reaction NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-22 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-20040167344-A1 Process for producing organotitanium compound and process for addition reaction ZYX, H1-4, GRIA4 KDM4E 475/4885CYP3A4 64/4885CYP2D6 543/4885
US-20030096996-A1 Process for producing organotitanium compound and process for addition reaction ZYX, H1-4, GRIA4 KDM4E 475/4885CYP3A4 64/4885CYP2D6 543/4885

“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.