Sugi Predict

Sugi Predict / Compounds / SCHEMBL3472936

SCHEMBL3472936

SCHEMBL3472936

COc1ccc(C)c(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ POLB P06746 3/20 0.49
▸ RXRA P19793 2/20 0.49
▸ NR1H2 P55055 2/20 0.49
▸ NR1H3 Q13133 2/20 0.49
▸ PTGS2 P35354 5/20 0.46
▸ PTGS1 P23219 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 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
SCHEMBL3471791 0.93 MAPT (0.53) MAPTSMN1; SMN2POLBRXRANR1H2
SCHEMBL3473594 0.93 MAPT (0.55) MAPTSMN1; SMN2POLBRXRANR1H2
SCHEMBL3471219 0.90 MAPT (0.53) MAPTSMN1; SMN2POLBRXRANR1H2
SCHEMBL3472746 0.90 RXRA (0.52) MAPTSMN1; SMN2POLBRXRANR1H2
SCHEMBL3473301 0.89 RXRA (0.52) MAPTSMN1; SMN2POLBRXRANR1H2
SCHEMBL3474907 0.89 RXRA (0.52) MAPTSMN1; SMN2POLBRXRANR1H2
SCHEMBL3472854 0.89 RXRA (0.55) MAPTSMN1; SMN2POLBRXRANR1H2
SCHEMBL3471008 0.88 MAPT (0.64) MAPTSMN1; SMN2POLBRXRANR1H2
SCHEMBL3473223 0.86 RXRA (0.49) MAPTSMN1; SMN2POLBRXRANR1H2
SCHEMBL3472933 0.86 MAPT (0.53) MAPTSMN1; SMN2POLBRXRANR1H2

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 9 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
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
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 — — EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — WO disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 MAPT 4737/4885SMN1; SMN2 4666/4885POLB 3735/4885

“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.