SCHEMBL628790

SCHEMBL628790

O=C(O)Cc1coc(-c2cccc(C(F)(F)F)c2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
EIF4E P06730 1/20 0.41
AKR1B1 P15121 2/20 0.38
P2RX7 Q99572 5/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CTSA P10619 1/20 0.37
FABP4 P15090 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL10029577 0.81 LMNA (0.38) LMNACTSAGAATSHRKMT2A
SCHEMBL28620228 0.78 NR4A2 (0.48) NOTUMAKR1B1LMNAGAATSHR
SCHEMBL627524 0.77 KDM4E (0.53) EIF4EAKR1B1LMNAGAA
SCHEMBL866323 0.76 EIF4E (0.43) EIF4ECTSSCTSKKMT2A
SCHEMBL6971887 0.72 HDAC1 (0.56) AKR1B1LMNAGAATSHRKMT2A
SCHEMBL628001 0.72 LMNA (0.46) LMNAGAATSHRKMT2A
SCHEMBL28494497 0.71 NOTUM (0.49) NOTUMCTSKTSHR
SCHEMBL28787698 0.70 FFAR1 (0.60) NOTUMLMNAGAATSHR
SCHEMBL1197790 0.70 MPL (0.42) NOTUMP2RX7CTSSCTSK
SCHEMBL4415483 0.70 LMNA (0.58) LMNAGAATSHRKMT2A

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 3 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
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 NOTUM 3362/4885EIF4E 2920/4885AKR1B1 905/4885

“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.