SCHEMBL20288409

SCHEMBL20288409

CC(C)c1nc(Cl)ccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 4/20 0.36
P2RX7 Q99572 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
IDH1 O75874 4/20 0.33
IDH2 P48735 3/20 0.33
PDE5A O76074 1/20 0.31
PDE4B Q07343 1/20 0.31
ADRB2 P07550 1/20 0.31
GRM2 Q14416 5/20 0.30
CASR P41180 1/20 0.30
TRPA1 O75762 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
SCHEMBL16807808 0.87 IDH1 (0.32) XPO1IDH1IDH2
SCHEMBL20303649 0.85 PDE2A (0.38) XPO1P2RX7CYP11B1CYP11B2IDH1
SCHEMBL21733739 0.81 KDM4E (0.41) XPO1
SCHEMBL21139917 0.78 CYP3A4 (0.37) XPO1IDH1IDH2TRPA1
SCHEMBL12763753 0.77 KIF11 (0.31) XPO1TRPA1
SCHEMBL27627609 0.76 ABHD6 (0.34) XPO1
SCHEMBL25163406 0.74 CYP11B2 (0.39) CYP11B2CASR
SCHEMBL22062851 0.74 CYP1A2 (0.42) XPO1
SCHEMBL22489583 0.74 CYP1A2 (0.45) XPO1
SCHEMBL16256879 0.74 CYP11B1 (0.37) XPO1CYP11B1CYP11B2ADRB2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2022-05-31 US disclosed
US-20210139500-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. (US) 2021-05-13 US disclosed
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2021-01-12 US disclosed
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2019-10-24 US disclosed
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2019-07-02 US disclosed
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Bio TheryX, Inc. 2018-06-21 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 (6 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-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 XPO1 1355/4885P2RX7 3611/4885CYP11B1 1860/4885
US-20210139500-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, CKS2 XPO1 1566/4885P2RX7 3488/4885CYP11B1 1945/4885
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 XPO1 1355/4885P2RX7 3611/4885CYP11B1 1860/4885
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 XPO1 1355/4885P2RX7 3611/4885CYP11B1 1860/4885
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 XPO1 1355/4885P2RX7 3611/4885CYP11B1 1860/4885
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 XPO1 1355/4885P2RX7 3611/4885CYP11B1 1860/4885

“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.