SCHEMBL20112813

SCHEMBL20112813

C[C@@]1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CO1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
AR P10275 1/20 0.52
GRM4 Q14833 1/20 0.48
UBE2M P61081 4/20 0.42
DCUN1D1 Q96GG9 4/20 0.42
KDR P35968 2/20 0.42
KIT P10721 1/20 0.42
FLT3 P36888 1/20 0.42
CDK8 P49336 1/20 0.41
TP53 P04637 1/20 0.41
BLM P54132 1/20 0.41
WRN Q14191 1/20 0.41
CXCR3 P49682 1/20 0.41
MAPT P10636 1/20 0.41
EPHX1 P07099 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL13199797 0.82 LMNA (0.57) LMNAARKDRTP53MAPT
SCHEMBL30158523 0.82 LMNA (0.57) LMNAAR
SCHEMBL4731094 0.82 LMNA (0.57) LMNAAR
SCHEMBL2704052 0.82 LMNA (0.57) LMNAARKDRTP53MAPT
SCHEMBL13199794 0.82 LMNA (0.57) LMNAARKDRTP53MAPT
SCHEMBL202481 0.82 LMNA (0.57) LMNAAR
SCHEMBL13216335 0.82 LMNA (0.57) LMNAAR
SCHEMBL4732504 0.81 AR (0.61) LMNAAR
SCHEMBL14086872 0.81 AR (0.61) LMNAAR
SCHEMBL13695984 0.81 AR (0.61) LMNAAR

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-20180118663-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF ONCTERNAL THERAPEUTICS, INC 2018-05-03 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-20180118663-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF AR, FSHR, UBE2V1 LMNA 804/4885AR 1/4885GRM4 1818/4885

“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.