Sugi Predict

Sugi Predict / Compounds / SCHEMBL1358968

SCHEMBL1358968

SCHEMBL1358968

CC(C)(C)C(=O)Nc1ccccc1-c1ncccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK3 Q15120 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ CETP P11597 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TOP2A P11388 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL1837563 0.87 TRPV1 (0.42) KDM4EALDH1A1ALOX12RAB9APDK1
SCHEMBL1357821 0.83 ALDH1A1 (0.42) KDM4EALDH1A1ALOX12RAB9APDK1
SCHEMBL13823077 0.83 TRPV1 (0.41) KDM4EALDH1A1ALOX12RAB9APDK1
SCHEMBL1842618 0.82 TRPV1 (0.41) KDM4EALDH1A1ALOX12RAB9APDK1
SCHEMBL1358972 0.79 CETP (0.54) KDM4EALDH1A1CETPTSHRLMNA
SCHEMBL7089699 0.78 RAB9A (0.71) KDM4EALDH1A1ALOX12RAB9APDK1
SCHEMBL9846967 0.77 TOP2A (0.44) KDM4EALDH1A1ALOX12RAB9APDK1
SCHEMBL28555585 0.77 CETP (0.51) KDM4EALDH1A1CETPTRPV1TSHR
SCHEMBL2087952 0.77 CETP (0.67) KDM4EALDH1A1ALOX12RAB9APDK1
SCHEMBL20370082 0.74 CETP (0.51) KDM4EALDH1A1CETPTSHRLMNA

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404852-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-26 — — US disclosed
US-8394803-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 — — US disclosed
US-8394803-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 — — US disclosed
US-8394803-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 — — US disclosed
US-20130030004-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2013-01-31 — — US disclosed
US-20130030004-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2013-01-31 — — US disclosed
US-20130030004-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2013-01-31 — — US disclosed
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 — — US disclosed
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 — — US disclosed
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 — — US disclosed
WO-2007056330-A1 BENZIMIDAZOLE DERIVATIVES AS GYRASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 — — WO disclosed
US-20060122196-A9 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2006-06-08 — — US disclosed
CN-1745077-A Gyrase inhibitors and uses thereof VERTEX PHARMA (US) 2006-03-08 — — CN disclosed
WO-2006022773-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-02 — — WO disclosed
US-20060025424-A1 Gyrase inhibitors and uses thereof CHARIFSON PAUL 2006-02-02 — — US disclosed
US-20050256136-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-11-17 — — US disclosed
EP-1592686-A1 GYRASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-11-09 — — EP disclosed
US-20050038247-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-02-17 — — US disclosed
WO-2005012292-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-10 — — WO disclosed
US-20040235886-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-25 — — US 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 (7 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-20060122196-A9 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B KDM4E 1403/4885ALDH1A1 3787/4885ALOX12 3257/4885
US-20130030004-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B KDM4E 1619/4885ALDH1A1 3184/4885ALOX12 3415/4885
US-20040235886-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B KDM4E 1415/4885ALDH1A1 3801/4885ALOX12 3278/4885
US-20060025424-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B KDM4E 1403/4885ALDH1A1 3787/4885ALOX12 3257/4885
US-20050256136-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, NQO2 KDM4E 2664/4885ALDH1A1 1650/4885ALOX12 2682/4885
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B KDM4E 1415/4885ALDH1A1 3801/4885ALOX12 3278/4885
US-20050038247-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B KDM4E 1403/4885ALDH1A1 3787/4885ALOX12 3257/4885

“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.