SCHEMBL19251186

SCHEMBL19251186

CCCC(C)(C)OCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 6/20 0.41
DUSP3 P51452 6/20 0.41
SLC6A4 P31645 1/20 0.41
AR P10275 1/20 0.39
IDO1 P14902 2/20 0.38
USP28 Q96RU2 1/20 0.37
USP25 Q9UHP3 1/20 0.37
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
P2RX7 Q99572 3/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
NR3C2 P08235 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL19251077 0.83 PTPN7 (0.44) PTPN7DUSP3SLC6A4ARIDO1
SCHEMBL20288236 0.81 ESR1 (0.36)
SCHEMBL20288213 0.81 SLC6A4 (0.38) SLC6A4IDO1
SCHEMBL25039167 0.80 PTPN7 (0.44) PTPN7DUSP3SLC6A4ARP2RX7
SCHEMBL19250947 0.78 RIPK1 (0.33)
SCHEMBL20288218 0.76 IDO1 (0.44) IDO1
SCHEMBL19251076 0.76 RXRA (0.46) PTPN7DUSP3SLC6A4ARIDO1
SCHEMBL25037512 0.76 PTPN7 (0.41) PTPN7DUSP3SLC6A4ARP2RX7
SCHEMBL2600031 0.74 PTPN7 (0.47) PTPN7DUSP3ARP2RX7NR3C2
SCHEMBL2600223 0.74 CTSS (0.46) PTPN7DUSP3ARP2RX7CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 PTPN7 3778/4885DUSP3 2542/4885SLC6A4 3102/4885

“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.