SCHEMBL2339082

SCHEMBL2339082

CC(C)(C)[C@H](Nc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
EPHX2 P34913 2/20 0.49
TRPV1 Q8NER1 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
KIF11 P52732 1/20 0.42
TGM2 P21980 1/20 0.42
DHODH Q02127 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2220609 0.83 MEN1 (0.45) MMP2CA12NPC1RAB9ALMNA
SCHEMBL2220603 0.83 MEN1 (0.45) MMP2CA12NPC1RAB9ALMNA
SCHEMBL1634810 0.81 SMN1; SMN2 (0.56) MMP2CA12CA1RAB9ALMNA
SCHEMBL1634808 0.81 SMN1; SMN2 (0.56) MMP2CA12CA1RAB9ALMNA
SCHEMBL3047727 0.80 HCRTR2 (0.45) MMP2CA12EPHX2RAB9ALMNA
SCHEMBL7936084 0.80 HCRTR2 (0.45) MMP2CA12EPHX2RAB9ALMNA
SCHEMBL11072569 0.80 MMP2 (0.56) MMP2CA12CA1EPHX2TRPV1
SCHEMBL1259765 0.80 MMP2 (0.56) MMP2CA12CA1EPHX2TRPV1
SCHEMBL9442663 0.80 MMP2 (0.56) MMP2CA12CA1EPHX2TRPV1
SCHEMBL735333 0.79 MMP2 (0.53) MMP2CA12CA1EPHX2TRPV1

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 MMP2 719/4885CA12 3218/4885CA1 4316/4885

“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.