Sugi Predict

Sugi Predict / Compounds / SCHEMBL20063731

SCHEMBL20063731

SCHEMBL20063731

COc1ccc(CN(c2nccs2)S(=O)(=O)c2cc(C(F)(F)F)c(F)cc2F)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SCN1A P35498 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL15466024 0.91 MEN1 (0.40) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL29669070 0.91 MEN1 (0.40) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL16771674 0.89 GAA (0.41) GAAKDM4EALDH1A1TDP1MEN1
SCHEMBL16757254 0.88 MEN1 (0.38) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL16094553 0.87 MEN1 (0.38) GAAKDM4EMEN1KMT2ASCN9A
SCHEMBL16757041 0.87 MEN1 (0.38) GAAKDM4EMEN1KMT2ATSHR
SCHEMBL25090182 0.86 SCN9A (0.41) GAAKDM4EMEN1KMT2ASCN9A
SCHEMBL20653719 0.86 MAPK1 (0.37) GAAKDM4EMEN1KMT2ATSHR
SCHEMBL29668807 0.85 KDM4E (0.42) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL16757102 0.85 MEN1 (0.36) GAAALDH1A1MEN1KMT2ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 — — US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 — — US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 — — WO disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 — — US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 — — 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 GAA 2055/4885KDM4E 1862/4885ALDH1A1 2867/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 GAA 2055/4885KDM4E 1862/4885ALDH1A1 2867/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 GAA 2044/4885KDM4E 1903/4885ALDH1A1 3058/4885

“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.