SCHEMBL17974911

SCHEMBL17974911

CC#CC(O)(c1cccc(-c2ccccc2C)c1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.40
▸ AR P10275 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PTPN5 P54829 8/20 0.38
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ SLC1A3 P43003 2/20 0.33
▸ SLC1A2 P43004 2/20 0.33
▸ SLC1A1 P43005 2/20 0.33

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
SCHEMBL17974907 0.83 PTPN5 (0.58) HTR7ARPDK2PTPN5RORC
SCHEMBL321574 0.76 AR (0.50) HTR7ARPDK2PTPN5RORC
SCHEMBL17974909 0.76 NR1H2 (0.44) PTPN1
SCHEMBL17974974 0.75 TSHR (0.52) —
SCHEMBL17974910 0.75 MKNK1 (0.44) PDK2
SCHEMBL10094733 0.75 HTR7 (0.46) HTR7ARPDK2PTPN5HTR1A
SCHEMBL17974916 0.73 MAOB (0.41) ARPDK2
SCHEMBL20724250 0.73 PTPN5 (0.37) HTR7PTPN5MCL1
SCHEMBL17974819 0.73 AKT1 (0.40) PDK2
SCHEMBL20724251 0.72 PTPN5 (0.43) HTR7ARPDK2PTPN5RORC

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 HTR7 4395/4885AR 4088/4885PDK2 3140/4885
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF TAF1, TAF1L, TAF1B HTR7 4395/4885AR 4088/4885PDK2 3140/4885

“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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