SCHEMBL17974907

SCHEMBL17974907

CC#CC(O)(c1cccc(-c2ccccc2OC)c1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 1/20 0.58
▸ PDK2 Q15119 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ AR P10275 1/20 0.43
▸ RORB Q92753 3/20 0.42
▸ RORC P51449 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ HTR7 P34969 5/20 0.41
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PTPRC P08575 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.36
▸ ICMT O60725 1/20 0.36
▸ KAT6A Q92794 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL20724251 0.84 PTPN5 (0.43) PTPN5PDK2PGRARRORB
SCHEMBL17974911 0.83 HTR7 (0.40) PTPN5PDK2ARRORBRORC
SCHEMBL1133453 0.78 PTPN5 (0.69) PTPN5PDK2PGRARRORB
SCHEMBL17974916 0.73 MAOB (0.41) PDK2PGRARAKR1C3
SCHEMBL17974909 0.73 NR1H2 (0.44) PTPN1
SCHEMBL17974819 0.72 AKT1 (0.40) PDK2
SCHEMBL20724250 0.72 PTPN5 (0.37) PTPN5HTR7
SCHEMBL17974974 0.72 TSHR (0.52) —
SCHEMBL17974910 0.72 MKNK1 (0.44) PDK2
SCHEMBL26556078 0.71 HTR7 (0.64) PTPN5PDK2PGRARHTR7

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-10202378-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 — — US disclosed
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 — — US disclosed
WO-2016123391-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-08-04 — — 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 (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-10202378-B2 Therapeutic compounds and uses thereof TAF1, TAF1L, TAF1B PTPN5 3893/4885PDK2 3140/4885PGR 3933/4885
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF TAF1, TAF1L, TAF1B PTPN5 3893/4885PDK2 3140/4885PGR 3933/4885

“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.

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