SCHEMBL753379

SCHEMBL753379

COC(=O)c1cnc(Oc2ccc([C@H](C)[C@](O)(c3cc(C)c(=O)n(C)c3)C(F)(F)F)c(Cl)c2)nc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 3/20 0.34
PKM P14618 1/20 0.32
KDR P35968 2/20 0.32
ACACB O00763 1/20 0.32
PTGER4 P35408 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
ATF1 P18846 1/20 0.31
NFKB1 P19838 1/20 0.31
MALT1 Q9UDY8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NR1H2 P55055 1/20 0.31
S1PR2 O95136 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL480682 1.00 LMNA (0.34) LMNAMAPTGAAPKMKDR
SCHEMBL480676 0.93 PTGER4 (0.34) KDRPTGER4S1PR2BRD4
SCHEMBL752394 0.93 PTGER4 (0.34) KDRPTGER4S1PR2BRD4
SCHEMBL15789753 0.89 KDR (0.31) KDRPTGER4MALT1S1PR2BRD4
SCHEMBL754992 0.88 P2RX3 (0.33) LMNAMAPTGAAKDRPTGER4
SCHEMBL480748 0.88 P2RX3 (0.33) LMNAMAPTGAAKDRPTGER4
SCHEMBL15789681 0.87 PTGER4 (0.32) KDRPTGER4
SCHEMBL480756 0.86 MAPT (0.45) LMNAMAPTGAAKMT2AKDM4E
SCHEMBL754975 0.86 MAPT (0.45) LMNAMAPTGAAKMT2AKDM4E
SCHEMBL480703 0.85 CYP1A2 (0.32) LMNAMAPTGAAKMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 LMNA 1995/4885MAPT 2644/4885GAA 3203/4885

“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.