Sugi Predict

Sugi Predict / Compounds / SCHEMBL16626285

SCHEMBL16626285

SCHEMBL16626285

Nc1ccc(-c2ccc(C(F)(F)C(F)(F)c3ccc4c(c3)C(=O)OC4=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.44
▸ PDK2 Q15119 1/20 0.38
▸ TDP2 O95551 2/20 0.37
▸ PRF1 P14222 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TDP1 Q9NUW8 3/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TAAR1 Q96RJ0 2/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CNR1 P21554 1/20 0.32

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
SCHEMBL16626283 0.95 ALDH1A1 (0.38) KIF11PDK2TDP2PRF1ALDH1A1
SCHEMBL16626286 0.89 TDP2 (0.40) KIF11TDP2ALDH1A1TDP1ALOX15
SCHEMBL16626282 0.85 TDP2 (0.42) KIF11TDP2ALDH1A1TDP1ALOX15
SCHEMBL16626117 0.85 ALOX15 (0.46) TDP2ALDH1A1TDP1ALOX15
SCHEMBL16626129 0.82 TDP1 (0.45) TDP2ALDH1A1TDP1ALOX15TSHR
SCHEMBL17943230 0.76 ALDH1A1 (0.38) TDP2ALDH1A1TDP1ALOX15
SCHEMBL16626281 0.76 CA12 (0.44) PDK2
SCHEMBL14252248 0.76 TDP2 (0.53) KIF11TDP2ALDH1A1CYP3A4MAOB
SCHEMBL17943453 0.76 ALDH1A1 (0.41) TDP2ALDH1A1TDP1ALOX15
SCHEMBL16626284 0.75 CA12 (0.38) TDP2ALDH1A1TDP1ALOX15

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 KIF11 1977/4885PDK2 1633/4885TDP2 3877/4885

“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.