Sugi Predict

Sugi Predict / Compounds / SCHEMBL1619656

SCHEMBL1619656

SCHEMBL1619656

COc1cc(C=O)c(F)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ ERN1 O75460 9/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PRKDC P78527 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TRIM24 O15164 1/20 0.42
▸ TYR P14679 1/20 0.42
▸ TRIM33 Q9UPN9 1/20 0.42
▸ CYP1A1 P04798 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP1B1 Q16678 2/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 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
SCHEMBL23850354 0.82 ERN1 (0.47) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL7810946 0.82 ALDH1A1 (0.50) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL2700325 0.82 ALDH1A1 (0.42) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL1618936 0.82 ALDH1A1 (0.42) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL28607913 0.81 PRKDC (0.48) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL2597345 0.81 ALDH1A1 (0.41) ALDH1A1ERN1KDM4EL3MBTL1MAPT
SCHEMBL1620964 0.81 ALDH1A1 (0.41) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL4945362 0.80 ALDH1A1 (0.60) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL15119999 0.80 ALDH1A1 (0.66) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL31128572 0.79 ERN1 (0.64) ALDH1A1ERN1KDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 — — EP disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 — — US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 — — US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 — — US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 — — US disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 — — US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 — — US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 — — US disclosed
EP-2202231-A1 2,3-DIHYDROIMINOISOINDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-06-30 — — EP disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 — — EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 — — WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 — — US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 — — US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 — — US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 — — US disclosed
CN-1334798-A Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2002-02-06 — — CN disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 — — EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 — — US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 — — US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 — — 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 (6 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-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 ALDH1A1 1133/4885ERN1 586/4885KDM4E 2586/4885
US-20100190783-A1 TRIAZOLONE DERIVATIVES H1-0, H1-10, H1-2 ALDH1A1 701/4885ERN1 1354/4885KDM4E 3911/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 ALDH1A1 905/4885ERN1 1512/4885KDM4E 3728/4885
US-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 ALDH1A1 1779/4885ERN1 1255/4885KDM4E 954/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885ERN1 1281/4885KDM4E 1998/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885ERN1 1281/4885KDM4E 1998/4885

“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.