SCHEMBL19251077

SCHEMBL19251077

CC(C)(C)OCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 6/20 0.44
DUSP3 P51452 6/20 0.44
AR P10275 1/20 0.43
IDO1 P14902 2/20 0.42
SLC6A4 P31645 1/20 0.42
USP28 Q96RU2 1/20 0.41
USP25 Q9UHP3 1/20 0.41
NR3C2 P08235 1/20 0.37
P2RX7 Q99572 3/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
VNN1 O95497 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL17083345 0.86 KIF11 (0.46) IDO1P2RX7
SCHEMBL19251186 0.83 PTPN7 (0.41) PTPN7DUSP3ARIDO1SLC6A4
SCHEMBL19240325 0.83 IDO1 (0.42) IDO1
SCHEMBL19251076 0.82 RXRA (0.46) PTPN7DUSP3ARIDO1SLC6A4
SCHEMBL12509484 0.79 SLC6A4 (0.50) PTPN7DUSP3ARIDO1SLC6A4
SCHEMBL1716084 0.79 IDO1 (0.67) PTPN7DUSP3IDO1
SCHEMBL19250945 0.77 CYP1A2 (0.41) RXRAGRIN1GRIN2B
SCHEMBL19250949 0.77 CA3 (0.41)
SCHEMBL19251061 0.77 CNR2 (0.41) IDO1SLC6A4
SCHEMBL19251029 0.77 NPC1 (0.37) IDO1

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 PTPN7 3495/4885DUSP3 1829/4885AR 826/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 PTPN7 3495/4885DUSP3 1829/4885AR 826/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 PTPN7 3778/4885DUSP3 2542/4885AR 715/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 PTPN7 3495/4885DUSP3 1829/4885AR 826/4885

“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.