Sugi Predict

Sugi Predict / Compounds / SCHEMBL3472857

SCHEMBL3472857

SCHEMBL3472857

NC(=O)c1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.57
▸ POLB P06746 2/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TP53 P04637 1/20 0.55
▸ RXRA P19793 2/20 0.52
▸ NR1H2 P55055 2/20 0.52
▸ NR1H3 Q13133 2/20 0.52
▸ ORAI1 Q96D31 1/20 0.51
▸ THRB P10828 2/20 0.49
▸ PDPK1 O15530 2/20 0.49
▸ NR3C2 P08235 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL3471938 0.92 ORAI1 (0.60) MAPTPOLBSMN1; SMN2TP53RXRA
SCHEMBL3471277 0.92 MAPT (0.57) MAPTPOLBSMN1; SMN2TP53RXRA
SCHEMBL3471324 0.92 MAPT (0.59) MAPTPOLBSMN1; SMN2TP53RXRA
SCHEMBL3473833 0.92 MAPT (0.53) MAPTPOLBSMN1; SMN2TP53RXRA
SCHEMBL3474142 0.91 MAPT (0.59) MAPTPOLBSMN1; SMN2TP53RXRA
SCHEMBL3472102 0.91 MAPT (0.61) MAPTPOLBSMN1; SMN2TP53RXRA
SCHEMBL3473738 0.90 PTGS2 (0.57) MAPTPOLBSMN1; SMN2TP53RXRA
SCHEMBL3471118 0.90 MAPT (0.57) MAPTPOLBSMN1; SMN2TP53RXRA
SCHEMBL3473312 0.89 MAPT (0.54) MAPTPOLBSMN1; SMN2TP53RXRA
SCHEMBL3475370 0.89 MAPT (0.54) MAPTPOLBSMN1; SMN2TP53RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 — — US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 — — US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 — — US disclosed
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 — — CN disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 — — US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 — — US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 — — US disclosed
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 — — CN 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 MAPT 4737/4885POLB 3735/4885SMN1; SMN2 4666/4885

“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.