SCHEMBL21653448

SCHEMBL21653448

CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2F)c(C(C)(C)c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.84
RXRA P19793 18/20 0.84
NR1H3 Q13133 18/20 0.84
NR1I2 O75469 2/20 0.77

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
SCHEMBL779541 0.91 NR1H2 (1.00) NR1H2RXRANR1H3NR1I2
SCHEMBL20235389 0.91 NR1H2 (0.89) NR1H2RXRANR1H3NR1I2
Bms-852927 SCHEMBL779963 0.87 NR1H2 (1.00) NR1H2RXRANR1H3NR1I2
SCHEMBL780318 0.87 NR1H2 (0.86) NR1H2RXRANR1H3NR1I2
SCHEMBL780880 0.86 NR1H2 (1.00) NR1H2RXRANR1H3NR1I2
SCHEMBL788358 0.86 NR1H2 (0.84) NR1H2RXRANR1H3NR1I2
SCHEMBL16407947 0.85 NR1H2 (0.89) NR1H2RXRANR1H3NR1I2
SCHEMBL20230565 0.85 NR1H2 (0.79) NR1H2RXRANR1H3NR1I2
SCHEMBL778357 0.84 NR1H2 (0.65) NR1H2RXRANR1H3NR1I2
SCHEMBL779280 0.83 NR1H2 (1.00) NR1H2RXRANR1H3NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10543183-B2 Treatment and diagnosis of melanoma THE ROCKEFELLER UNIVERSITY (US) 2020-01-28 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 (1 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-10543183-B2 Treatment and diagnosis of melanoma EYA3, BRAF, CD99 NR1H2 4537/4885RXRA 2268/4885NR1H3 4400/4885

“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.