SCHEMBL17974909

SCHEMBL17974909

CC#CC(O)(c1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.44
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NR1H3 Q13133 2/20 0.38
▸ NR1I2 O75469 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL17974916 0.82 MAOB (0.41) NR1H2CYP1A2CYP2C9CYP2C19
SCHEMBL17974974 0.80 TSHR (0.52) NR1H2ALDH1A1TSHR
SCHEMBL8126449 0.79 NR1H2 (0.42) NR1H2ALDH1A1TSHRNR1I2
SCHEMBL17974973 0.79 KCNA5 (0.44) CYP1A2CYP2C9CYP2C19
SCHEMBL20945461 0.78 NR1H2 (0.58) NR1H2NR1I2
SCHEMBL17974966 0.78 SLC2A1 (0.50) NR1H2ALDH1A1TSHRNR1H3NR1I2
SCHEMBL17974808 0.77 NR1H3 (0.40) NR1H2ALDH1A1TSHRNR1H3
SCHEMBL17974799 0.77 PDK1 (0.42) NR1H2
SCHEMBL17974801 0.77 PDK1 (0.44) NR1H2NR1H3
SCHEMBL17974911 0.76 HTR7 (0.40) PTPN1

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 NR1H2 2327/4885ALDH1A1 2132/4885TSHR 1358/4885
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF TAF1, TAF1L, TAF1B NR1H2 2327/4885ALDH1A1 2132/4885TSHR 1358/4885

“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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