SCHEMBL17480644

SCHEMBL17480644

CC(C)c1cc(C(F)(F)F)ns1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
CYP2C19 P33261 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
SMARCA2 P51531 1/20 0.30
SMARCA4 P51532 1/20 0.30

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
SCHEMBL10217171 0.81
SCHEMBL17198902 0.71 HSP90AA1 (0.38) HSP90AA1HSP90AB1SMARCA2SMARCA4
SCHEMBL85822 0.69 NOS3 (0.31)
SCHEMBL768751 0.69
SCHEMBL26151613 0.68 GABRA2 (0.33) HSP90AA1HSP90AB1SMARCA2SMARCA4
SCHEMBL21924845 0.67
SCHEMBL20375479 0.67
SCHEMBL24525054 0.67 SMARCA2 (0.35) SMARCA2SMARCA4
SCHEMBL21722751 0.67 CA2 (0.40) HSP90AA1HSP90AB1SMARCA2SMARCA4
SCHEMBL26739791 0.67 SMARCA2 (0.41) CYP3A4CYP2D6TSHRCRHBPCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 US disclosed
US-20170015671-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-01-19 US disclosed
US-9533991-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-01-03 US disclosed
US-20160031891-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2016-02-04 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-20160031891-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, SYK CYP3A4 3750/4885CYP2D6 2447/4885TSHR 2395/4885
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 CYP3A4 4535/4885CYP2D6 4440/4885TSHR 120/4885
US-20170015671-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, SYK CYP3A4 3750/4885CYP2D6 2447/4885TSHR 2395/4885

“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.