SCHEMBL365161

SCHEMBL365161

CC(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.44
ALPL P05186 1/20 0.36
S1PR1 P21453 6/20 0.33
DGAT1 O75907 2/20 0.33
SCN9A Q15858 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PDGFRB P09619 2/20 0.32
KDR P35968 2/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR3 Q99500 1/20 0.32
EGFR P00533 1/20 0.32
RORC P51449 1/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 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
SCHEMBL10198341 0.89 AAK1 (0.42) AAK1ALPLDGAT1GSK3AGSK3B
SCHEMBL16175121 0.87 AAK1 (0.46) AAK1ALPLDGAT1GSK3AGSK3B
SCHEMBL364697 0.85 AAK1 (0.47) AAK1ALPLS1PR1DGAT1GSK3A
SCHEMBL1690230 0.85 AAK1 (0.47) AAK1ALPLS1PR1DGAT1GSK3A
SCHEMBL10198423 0.85 AAK1 (0.47) AAK1ALPLS1PR1DGAT1GSK3A
SCHEMBL367669 0.84 AAK1 (0.43) AAK1ALPLDGAT1SCN9AGSK3A
SCHEMBL16175226 0.84 AAK1 (0.43) AAK1ALPLDGAT1SCN9AGSK3A
SCHEMBL10198356 0.84 AAK1 (0.39) AAK1ALPLDGAT1GSK3AGSK3B
SCHEMBL29556254 0.84 ALPL (0.45) AAK1ALPLDGAT1GSK3AGSK3B
SCHEMBL3673238 0.84 ALPL (0.45) AAK1ALPLDGAT1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970156-B1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH INC (US) 2018-07-25 EP disclosed
EP-2970156-B1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH INC (US) 2018-07-25 EP disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
EP-2791108-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2016-07-27 EP disclosed
EP-2791108-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2016-07-27 EP disclosed
EP-2970156-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-01-20 EP disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 US disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 US disclosed
WO-2012007861-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
WO-2012007861-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
WO-2011134280-A1 COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2011-11-03 WO disclosed
WO-2011134280-A1 COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2011-11-03 WO disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 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 (3 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-20110269738-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 AAK1 3329/4885ALPL 2704/4885S1PR1 1075/4885
US-20120010183-A1 Chemical Compounds SCN1A, SCN1B, SCN7A AAK1 1882/4885ALPL 4612/4885S1PR1 406/4885
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF CYP4X1, BRIX1, HAX1 AAK1 4448/4885ALPL 2330/4885S1PR1 2981/4885

“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.