SCHEMBL19251063

SCHEMBL19251063

COc1c(F)ccc(COC(C)(C)C)c1F

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.43
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL19240335 0.85 MEP1B (0.31) MEP1BCYP19A1
SCHEMBL19251350 0.82 MEP1B (0.48) MEP1BROCK2ROCK1CYP19A1
SCHEMBL13547870 0.79 MEP1B (0.46) MEP1BROCK2ROCK1CYP19A1
SCHEMBL14203437 0.76 MEP1B (0.53) MEP1BROCK2ROCK1CYP19A1
SCHEMBL17788615 0.75 MEP1B (0.46) MEP1BROCK2ROCK1
SCHEMBL8471671 0.74 MEP1B (0.48) MEP1BROCK2ROCK1CYP19A1
SCHEMBL8470910 0.74 MEP1B (0.51) MEP1BROCK2ROCK1CYP19A1
SCHEMBL8274219 0.74 MEP1B (0.48) MEP1BROCK2ROCK1CYP19A1
SCHEMBL4592694 0.74 MEP1B (0.51) MEP1BROCK2ROCK1CYP19A1
SCHEMBL13548283 0.73 MEP1B (0.47) MEP1BROCK2ROCK1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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 (4 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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 MEP1B 4316/4885ROCK2 1306/4885ROCK1 1685/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 MEP1B 4316/4885ROCK2 1306/4885ROCK1 1685/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 MEP1B 4197/4885ROCK2 1265/4885ROCK1 1593/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 MEP1B 4316/4885ROCK2 1306/4885ROCK1 1685/4885

“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.