SCHEMBL20148784

SCHEMBL20148784

CC(C)N1C(=O)CC[C@H]1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.36
TSHR P16473 3/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RIPK1 Q13546 1/20 0.30

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
SCHEMBL18389125 0.82 TSHR (0.35) P2RX7TSHRHSD17B10POLBGAA
SCHEMBL16231394 0.74 SRD5A1 (0.38) P2RX7TSHRNPSR1KMT2AKDM4E
SCHEMBL2046360 0.74 SRD5A1 (0.38) P2RX7TSHRNPSR1KMT2AKDM4E
SCHEMBL29348244 0.73 CA1 (0.32)
SCHEMBL24731109 0.71 TSHR (0.38) P2RX7TSHRHSD17B10POLBGAA
SCHEMBL22541564 0.71 TSHR (0.38) P2RX7TSHRHSD17B10POLBGAA
SCHEMBL4338609 0.71 TSHR (0.38) P2RX7TSHRHSD17B10POLBGAA
SCHEMBL17586325 0.71
SCHEMBL16230668 0.71
SCHEMBL2706865 0.69 TSHR (0.37) P2RX7TSHRHSD17B10POLBGAA

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-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 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-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER BCL2, BAK1, BRD4 P2RX7 4723/4885TSHR 4060/4885HSD17B10 2675/4885

“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.