SCHEMBL628589

SCHEMBL628589

O=C(O)C(O)c1csc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
EIF4E P06730 3/20 0.40
RXRA P19793 4/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 3/20 0.39
TLR7 Q9NYK1 2/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
IDE P14735 1/20 0.36
MAPK10 P53779 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL10029571 0.78 ALDH1A1 (0.45) ALDH1A1KDM4ERXRARXRBTLR7
SCHEMBL2879349 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2AEIF4E
SCHEMBL627651 0.74 LMNA (0.59) ALDH1A1KDM4EMEN1KMT2ARHOC
SCHEMBL1573179 0.69 CES2 (0.48) RXRARXRBRXRGLMNAMAPK1
SCHEMBL6675546 0.69 CES2 (0.48) RXRARXRBRXRGLMNAMAPK1
SCHEMBL531262 0.69 CES2 (0.48) RXRARXRBRXRGLMNAMAPK1
SCHEMBL13148954 0.69 LMNA (0.47) ALDH1A1KDM4EMEN1KMT2ARHOC
SCHEMBL629217 0.68 KDM4E (0.51) ALDH1A1KDM4EMEN1KMT2ARHOC
SCHEMBL5017186 0.68 TLR7 (0.44) KDM4EMEN1KMT2ATLR7LMNA
SCHEMBL628077 0.68 RHOC (0.50) ALDH1A1KDM4EMEN1KMT2ARHOC

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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
EP-2419412-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-02-22 EP disclosed
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) RBP4, RBP1, FABP4 ALDH1A1 1164/4885KDM4E 751/4885MEN1 3936/4885

“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.