SCHEMBL2339653

SCHEMBL2339653

CC(C)(C)[C@H](Nc1cccc(OC(F)(F)F)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
P2RX1 P51575 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PDK1 Q15118 2/20 0.47
PDK2 Q15119 2/20 0.47
PDK3 Q15120 2/20 0.47
PDK4 Q16654 2/20 0.47
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SLC22A12 Q96S37 1/20 0.44
KCNK3 O14649 3/20 0.43
KCNK9 Q9NPC2 3/20 0.43

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
SCHEMBL12406649 0.85 PDK1 (0.53) LMNAPOLBNPC1RAB9APDK1
SCHEMBL635520 0.85 PDK1 (0.53) LMNAPOLBNPC1RAB9APDK1
SCHEMBL734814 0.83 NPC1 (0.49) LMNAPOLBP2RX1NPC1RAB9A
SCHEMBL734815 0.83 NPC1 (0.49) LMNAPOLBP2RX1NPC1RAB9A
SCHEMBL2341103 0.81 PPARA (0.38) LMNAPOLBNPC1RAB9APDK1
SCHEMBL1634810 0.79 SMN1; SMN2 (0.56) LMNAPOLBP2RX1RAB9AALDH1A1
SCHEMBL1634808 0.79 SMN1; SMN2 (0.56) LMNAPOLBP2RX1RAB9AALDH1A1
SCHEMBL3042876 0.79 MMP2 (0.50) POLBNPC1RAB9AALDH1A1GAA
SCHEMBL13224065 0.79 MMP2 (0.50) POLBNPC1RAB9AALDH1A1GAA
SCHEMBL13240798 0.78 MMP12 (0.48) LMNAPOLBP2RX1NPC1RAB9A

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
EP-2358736-A1 THERAPEUTIC ANTIVIRAL PEPTIDES Intermune, Inc. (US) 2011-08-24 EP disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO disclosed
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO 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-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS LMNA 3507/4885POLB 545/4885P2RX1 2343/4885

“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.