Sugi Predict

Sugi Predict / Compounds / SCHEMBL16626117

SCHEMBL16626117

SCHEMBL16626117

O=C1OC(=O)c2cc(C(F)(F)C(F)(F)c3ccc4c(c3)C(=O)OC4=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ NPC1 O15118 2/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SENP8 Q96LD8 2/20 0.37
▸ SENP7 Q9BQF6 2/20 0.37
▸ SENP6 Q9GZR1 2/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP2 O95551 2/20 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
SCHEMBL16626129 0.93 TDP1 (0.45) ALOX15TDP1ALDH1A1NPC1CASP3
SCHEMBL16626286 0.89 TDP2 (0.40) ALOX15TDP1ALDH1A1NPC1CASP3
SCHEMBL17943230 0.89 ALDH1A1 (0.38) ALOX15TDP1ALDH1A1NPC1CASP3
SCHEMBL16626283 0.89 ALDH1A1 (0.38) ALOX15TDP1ALDH1A1NPC1CASP3
SCHEMBL17943453 0.89 ALDH1A1 (0.41) ALOX15TDP1ALDH1A1NPC1CASP3
SCHEMBL14536450 0.88 ALOX15 (0.46) ALOX15TDP1ALDH1A1NPC1CASP3
SCHEMBL1498509 0.88 ALOX15 (0.46) ALOX15TDP1ALDH1A1NFKB1NFKB2
SCHEMBL21058296 0.87 ALOX15 (0.39) ALOX15TDP1ALDH1A1NPC1CASP3
SCHEMBL11745417 0.86 ALOX15 (0.42) ALOX15TDP1ALDH1A1NPC1CASP3
SCHEMBL16626281 0.85 CA12 (0.44) CA12CA7CA1CA4

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
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 — — US disclosed
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 — — US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 — — US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 — — US disclosed
WO-2015050236-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME ダイキン工業株式会社 2015-04-09 — — 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-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME AFF1, AFF2, AFF4 ALOX15 1473/4885TDP1 3957/4885ALDH1A1 1452/4885

“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.