SCHEMBL19251076

SCHEMBL19251076

COCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
PTPN7 P35236 6/20 0.46
DUSP3 P51452 6/20 0.46
IDO1 P14902 2/20 0.45
AR P10275 1/20 0.44
SLC6A4 P31645 1/20 0.44
USP28 Q96RU2 1/20 0.42
USP25 Q9UHP3 1/20 0.42
PDK2 Q15119 1/20 0.41
PTPN1 P18031 1/20 0.40
NR3C2 P08235 1/20 0.39
P2RX7 Q99572 2/20 0.38
KCNN4 O15554 1/20 0.38

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
SCHEMBL15716079 0.85 KIF11 (0.49) RXRAGRIN1GRIN2BIDO1PDK2
SCHEMBL19251077 0.82 PTPN7 (0.44) RXRAGRIN1GRIN2BPTPN7DUSP3
SCHEMBL25735770 0.81 IDO1 (0.45) IDO1PDK2PTPN1
SCHEMBL1716084 0.81 IDO1 (0.67) PTPN7DUSP3IDO1
SCHEMBL12509484 0.81 SLC6A4 (0.50) RXRAGRIN1GRIN2BPTPN7DUSP3
SCHEMBL25735783 0.80 S1PR1 (0.45) PTPN7DUSP3IDO1ARPDK2
Hydrochloric Acid SCHEMBL1715172 0.80 IDO1 (0.68) IDO1
SCHEMBL3156462 0.79 PTPN7 (0.43) RXRAGRIN1GRIN2BPTPN7DUSP3
SCHEMBL5023454 0.79 AR (0.48) RXRAGRIN1GRIN2BPTPN7DUSP3
SCHEMBL10299806 0.79 AR (0.48) RXRAGRIN1GRIN2BPTPN7DUSP3

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-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 RXRA 1649/4885GRIN1 3521/4885GRIN2B 4119/4885

“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.