SCHEMBL1644693

SCHEMBL1644693

COC(=O)c1ccc(COc2cc(C)c(C)cc2N(CC(C)F)S(=O)(=O)c2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 6/20 0.42
LMNA P02545 4/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37

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
SCHEMBL12361855 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL12361854 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL12361841 0.94 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL1645078 0.93 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL12775504 0.92 KDM4E (0.35) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL12361878 0.92 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL12361876 0.92 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL1645342 0.91 RXRA (0.44) ALDH1A1KDM4EHPGD
SCHEMBL12361934 0.91 RXRA (0.44) ALDH1A1KDM4EHPGD
SCHEMBL1644361 0.91 RXRA (0.44) ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 US disclosed
US-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 US disclosed
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2011-08-18 US disclosed
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2011-08-18 US disclosed
EP-2305641-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-04-06 EP disclosed
EP-2305641-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-04-06 EP 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-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF PTGER1, PTGER2, GPER1 ALDH1A1 614/4885KDM4E 3127/4885MAPT 4794/4885

“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.