SCHEMBL628637

SCHEMBL628637

O=C(O)Cc1nc(-c2cc(F)cc(C(F)(F)F)c2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.53
RXRB P28702 2/20 0.53
RXRG P48443 2/20 0.53
TRPA1 O75762 4/20 0.44
TRPV4 Q9HBA0 1/20 0.44
HPSE Q9Y251 2/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
PPARD Q03181 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL10029568 0.82 ALDH1A1 (0.49) HPSEALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4512919 0.81 ALDH1A1 (0.62) HPSEALDH1A1L3MBTL1PPARDHDAC3
SCHEMBL1199358 0.80 KDM4E (0.53) RXRARXRBRXRGTRPA1TRPV4
SCHEMBL1199036 0.77 MEN1 (0.42) RXRARXRBRXRGTRPA1TRPV4
SCHEMBL628096 0.77 KDM4E (0.64) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL474188 0.75 MAPT (0.55) TRPA1TRPV4ALDH1A1KDM4EMEN1
SCHEMBL1198691 0.75 ALDH1A1 (0.42) RXRARXRBRXRGTRPA1TRPV4
SCHEMBL629126 0.74 RXRA (0.53) RXRARXRBRXRGTRPA1TRPV4
SCHEMBL8033608 0.74 EIF4E (0.40) RXRARXRBRXRGHPSEALDH1A1
Bromide SCHEMBL8360770 0.74 MAPT (0.54) TRPA1TRPV4ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459203-A Compositions and methods for modulating retinol binding to retinol binding protein 4(RBP4) IRM LLC 2012-05-16 CN 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
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 RXRA 11/4885RXRB 5/4885RXRG 10/4885

“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.