SCHEMBL1636010

SCHEMBL1636010

CC(C)(C)C(Nc1cc(F)cc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
XPO1 O14980 1/20 0.41
GPR35 Q9HC97 1/20 0.41
TRPA1 O75762 2/20 0.40
MAPT P10636 1/20 0.40
S1PR2 O95136 2/20 0.39
ALDH1A1 P00352 2/20 0.39
P2RX1 P51575 2/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
TACR1 P25103 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL1636008 1.00 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6XPO1
SCHEMBL2338133 0.85 TAS2R14 (0.48) GPR35TRPA1MAPTALDH1A1P2RX1
SCHEMBL2335393 0.84 SLC13A3 (0.45) HDAC3HDAC1HDAC2HDAC6XPO1
SCHEMBL1634808 0.79 SMN1; SMN2 (0.56) MAPTALDH1A1P2RX1KDM4ESMN1; SMN2
SCHEMBL1634810 0.79 SMN1; SMN2 (0.56) MAPTALDH1A1P2RX1KDM4ESMN1; SMN2
SCHEMBL2341103 0.79 PPARA (0.38) ALDH1A1LMNA
SCHEMBL2339082 0.78 MMP2 (0.50) ALDH1A1LMNA
SCHEMBL7936434 0.77 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6XPO1
SCHEMBL12844440 0.76 S1PR2 (0.44) HDAC3HDAC1HDAC2HDAC6GPR35
SCHEMBL3042876 0.76 MMP2 (0.50) ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102216321-A Therapeutic antiviral peptides INTERMUNE INC 2011-10-12 CN disclosed
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
EP-2185524-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2010-05-19 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-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 US disclosed
WO-2008141227-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-20 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 (2 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-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, HDGF, EIF2AK2 HDAC3 3525/4885HDAC1 3485/4885HDAC2 3901/4885
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS HDAC3 3795/4885HDAC1 2972/4885HDAC2 3898/4885

“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.