Sugi Predict

Sugi Predict / Compounds / SCHEMBL2931002

SCHEMBL2931002

SCHEMBL2931002

ON=C(Cl)c1cccc(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 5/20 0.52
▸ CES1 P23141 5/20 0.52
▸ BCHE P06276 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ ALB P02768 1/20 0.35
▸ KAT6A Q92794 2/20 0.35
▸ CTSL P07711 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL20148148 1.00 CES2 (0.52) CES2CES1BCHEALDH1A1ALOX15
SCHEMBL2930860 1.00 CES2 (0.52) CES2CES1BCHEALDH1A1ALOX15
SCHEMBL31751085 1.00 CES2 (0.52) CES2CES1BCHEALDH1A1ALOX15
SCHEMBL2119207 0.83 ALDH1A1 (0.56) CES2CES1BCHEALDH1A1ALOX15
SCHEMBL3841277 0.83 ALDH1A1 (0.56) CES2CES1BCHEALDH1A1ALOX15
SCHEMBL2120900 0.83 ALDH1A1 (0.56) CES2CES1BCHEALDH1A1ALOX15
SCHEMBL6697661 0.82 ALDH1A1 (0.41) CES2CES1BCHEALDH1A1ALOX15
SCHEMBL20148151 0.81 CES2 (0.50) CES2CES1BCHEALDH1A1ALOX15
SCHEMBL20136336 0.81 CES2 (0.50) CES2CES1BCHEALDH1A1ALOX15
SCHEMBL20136335 0.81 CES2 (0.50) CES2CES1BCHEALDH1A1ALOX15

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-08-06 — — US disclosed
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2018-05-17 — — US disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 — — EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 — — US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 — — EP disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 — — US disclosed
US-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 — — US disclosed
US-8846719-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-09-30 — — US disclosed
EP-2767536-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2014-08-20 — — EP disclosed
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-24 — — US disclosed
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 — — US disclosed
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 — — US disclosed
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 — — US disclosed
US-8518974-B2 Isoxazolo-pyridine derivatives Hoffmann-La Roche Inc (US) 2013-08-27 — — US disclosed
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-07-19 — — US disclosed
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 — — EP disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 — — WO disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 — — US disclosed
EP-1437349-B9 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS S A L V A T LAB SA (ES) 2008-09-10 — — EP disclosed
EP-1437349-B1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS S A L V A T LAB SA (ES) 2007-08-15 — — EP 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 (8 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-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 CES2 2531/4885CES1 1505/4885BCHE 414/4885
US-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 CES2 679/4885CES1 823/4885BCHE 49/4885
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 CES2 2697/4885CES1 1676/4885BCHE 462/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 CES2 2697/4885CES1 1676/4885BCHE 462/4885
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 CES2 2697/4885CES1 1676/4885BCHE 462/4885
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 CES2 2697/4885CES1 1676/4885BCHE 462/4885
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 CES2 647/4885CES1 843/4885BCHE 55/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 CES2 2697/4885CES1 1676/4885BCHE 462/4885

“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.