Sugi Predict

Sugi Predict / Compounds / SCHEMBL16626283

SCHEMBL16626283

SCHEMBL16626283

Nc1ccc(C(F)(F)C(F)(F)c2ccc3c(c2)C(=O)OC3=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KIF11 P52732 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PTPRC P08575 2/20 0.33
▸ PLA2G1B P04054 2/20 0.33
▸ ATG4B Q9Y4P1 2/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL16626285 0.95 KIF11 (0.44) ALDH1A1TDP1ALOX15KIF11TSHR
SCHEMBL16626117 0.89 ALOX15 (0.46) ALDH1A1TDP1ALOX15NPC1RAB9A
SCHEMBL16626129 0.86 TDP1 (0.45) ALDH1A1TDP1ALOX15TSHRNPC1
SCHEMBL16626286 0.83 TDP2 (0.40) ALDH1A1TDP1ALOX15KIF11NPC1
SCHEMBL17943230 0.80 ALDH1A1 (0.38) ALDH1A1TDP1ALOX15NPC1RAB9A
SCHEMBL16626281 0.80 CA12 (0.44) PTPRCPDK2
SCHEMBL16626282 0.79 TDP2 (0.42) ALDH1A1TDP1ALOX15KIF11NPC1
SCHEMBL17943453 0.79 ALDH1A1 (0.41) ALDH1A1TDP1ALOX15NPC1RAB9A
SCHEMBL16626284 0.78 CA12 (0.38) ALDH1A1TDP1ALOX15MAPTMEN1
SCHEMBL1498509 0.78 ALOX15 (0.46) ALDH1A1TDP1ALOX15TSHRMAPK1

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 ALDH1A1 1452/4885TDP1 3957/4885ALOX15 1473/4885

“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.